![methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate structure](/static/products/102/1025301-82-9.png)
methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
TL;DR: methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate (CAS 1025301-82-9) is a chemical compound with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13Z)-9-methyl-14-oxo-13-(1H-pyrrol-2-ylmethylidene)-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 (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate, (Z)-methyl 2-((1H-pyrrol-2-yl)methylene)-5-methyl-1-oxo-1,2,5,11-tetrahydro-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate, 8-Oxa-12-thia-10,15-diazatetracyclo[7.6.1.0(2,7).0(11,15)]hexadeca-2,4,6,10-tetraene-16-carboxylic acid, 9-methyl-14-oxo-13-1H-pyrrol-2-ylmethylidene]-, methyl ester, METHYL (2Z)-5-METHYL-1-OXO-2-(1H-PYRROL-2-YLMETHYLENE)-1,2-DIHYDRO-5H,11H-5,11-METHANO[1,3]THIAZOLO[2,3-D][1,3,5]BENZOXADIAZOCINE-13-CARBOXYLATE
| Molecular Formula | C20H17N3O4S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 1.1871 |
| Topological Polar Surface Area | 85.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.09396 |
| Heavy Atoms | 28 |
| Complexity | 1257.3491 |
Chemical Identifiers
| CAS Number | 1025301-82-9 |
|---|---|
| SMILES | CC12C(C(C3=CC=CC=C3O1)N4C(=O)/C(=C/C5=CC=CN5)/SC4=N2)C(=O)OC |
Product Overview
methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate (CAS 1025301-82-9), with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol. IUPAC: methyl (13Z)-9-methyl-14-oxo-13-(1H-pyrrol-2-ylmethylidene)-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 (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
Property Insights of methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate
The XLogP value of 1.1871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate. The TPSA of 85.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate. Following Lipinski's Rule of Five, methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate?
The CAS number of methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate is 1025301-82-9.
What is the molecular formula of methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate?
The molecular formula of methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate is C20H17N3O4S.
What is the molecular weight of methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate?
The molecular weight of methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate is 395.09 g/mol.
Where can I buy methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate?
You can request a quote for methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-5-methyl-1-oxo-2-(1H-pyrrol-2-ylmethylidene)-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.