C21H23N3O6S
TL;DR: C21H23N3O6S (CAS 844829-77-2) is a chemical compound with molecular formula C21H23N3O6S and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: (E)-methyl 2-(2-(2-(1-(3,4-dimethoxyphenyl)ethylidene)hydrazinyl)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[{(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl}(oxo)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C21H23N3O6S |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 2.5195 |
| Topological Polar Surface Area | 115.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.13077 |
| Heavy Atoms | 31 |
| Complexity | 1059.6248 |
Chemical Identifiers
| CAS Number | 844829-77-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC)/C3=CC(=C(C=C3)OC)OC |
Product Overview
C21H23N3O6S (CAS 844829-77-2), with molecular formula C21H23N3O6S and molecular weight 445.13 g/mol. IUPAC: methyl 2-[[2-[(2E)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of C21H23N3O6S
Property Insights of C21H23N3O6S
The XLogP value of 2.5195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H23N3O6S. The TPSA of 115.32 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H23N3O6S. Following Lipinski's Rule of Five, C21H23N3O6S has 2 hydrogen bond donor(s) and 8 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 C21H23N3O6S?
The CAS number of C21H23N3O6S is 844829-77-2.
What is the molecular formula of C21H23N3O6S?
The molecular formula of C21H23N3O6S is C21H23N3O6S.
What is the molecular weight of C21H23N3O6S?
The molecular weight of C21H23N3O6S is 445.13 g/mol.
Where can I buy C21H23N3O6S?
You can request a quote for C21H23N3O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H23N3O6S?
Yes, KEHONG BIO provides custom synthesis services for C21H23N3O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.