![methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate structure](/static/products/102/1025219-18-4.png)
methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate
TL;DR: methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate (CAS 1025219-18-4) is a chemical compound with molecular formula C30H25ClN2O6S and molecular weight 576.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13E)-13-[[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxylate
Also Known As: methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate, methyl (2E)-2-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate, methyl (13E)-13-[[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxylate
| Molecular Formula | C30H25ClN2O6S |
|---|---|
| Molecular Weight | 576.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 576.1122 |
| Heavy Atoms | 40 |
| Complexity | 1815.3402 |
Chemical Identifiers
| CAS Number | 1025219-18-4 |
|---|---|
| SMILES | CC12C(C(C3=CC=CC=C3O1)N4C(=O)/C(=C\C5=CC(=C(C=C5)OC)COC6=CC(=CC=C6)Cl)/SC4=N2)C(=O)OC |
Product Overview
methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate (CAS 1025219-18-4), with molecular formula C30H25ClN2O6S and molecular weight 576.11 g/mol. IUPAC: methyl (13E)-13-[[3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl]methylidene]-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.02,7.011,15]hexadeca-2,4,6,10-tetraene-16-carboxylate.
Chemical Property Profile of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate
Property Insights of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate
The XLogP value of 4.1 indicates that methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate. Following Lipinski's Rule of Five, methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate?
The CAS number of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate is 1025219-18-4.
What is the molecular formula of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate?
The molecular formula of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate is C30H25ClN2O6S.
What is the molecular weight of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate?
The molecular weight of methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate is 576.11 g/mol.
Where can I buy methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate?
You can request a quote for methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (13E)-13-{3-[(3-chlorophenoxy)methyl]-4-methoxybenzylidene}-9-methyl-14-oxo-8-oxa-12-thia-10,15-diazatetracyclo[7.6.1.0~2,7~.0~11,15~]hexadeca-2,4,6,10-tetraene-16-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.