CAS 1005041-39-3 - C21H20N4O4S
TL;DR: CAS 1005041-39-3 - C21H20N4O4S (CAS 1005041-39-3) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (13Z)-13-[(1,3-dimethylpyrazol-4-yl)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-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-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 2-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methanobenzo[g]thiazolo[2,3-d][1,3,5]oxadiazocine-13-carboxylate
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 0.90092 |
| Topological Polar Surface Area | 87.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1368.2739 |
Chemical Identifiers
| CAS Number | 1005041-39-3 |
|---|---|
| SMILES | CC1=NN(C=C1/C=C\2/C(=O)N3C4C(C(N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC)C |
Product Overview
CAS 1005041-39-3 - C21H20N4O4S (CAS 1005041-39-3), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: methyl (13Z)-13-[(1,3-dimethylpyrazol-4-yl)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 CAS 1005041-39-3 - C21H20N4O4S
Property Insights of CAS 1005041-39-3 - C21H20N4O4S
The XLogP value of 0.90092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CAS 1005041-39-3 - C21H20N4O4S. The TPSA of 87.71 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 1005041-39-3 - C21H20N4O4S. Following Lipinski's Rule of Five, CAS 1005041-39-3 - C21H20N4O4S has 0 hydrogen bond donor(s) and 7 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 CAS 1005041-39-3 - C21H20N4O4S?
The CAS number of CAS 1005041-39-3 - C21H20N4O4S is 1005041-39-3.
What is the molecular formula of CAS 1005041-39-3 - C21H20N4O4S?
The molecular formula of CAS 1005041-39-3 - C21H20N4O4S is C21H20N4O4S.
What is the molecular weight of CAS 1005041-39-3 - C21H20N4O4S?
The molecular weight of CAS 1005041-39-3 - C21H20N4O4S is 424.12 g/mol.
Where can I buy CAS 1005041-39-3 - C21H20N4O4S?
You can request a quote for CAS 1005041-39-3 - C21H20N4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 1005041-39-3 - C21H20N4O4S?
Yes, KEHONG BIO provides custom synthesis services for CAS 1005041-39-3 - C21H20N4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.