BAS 04435479
TL;DR: BAS 04435479 (CAS 354550-04-2) is a chemical compound with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate
Also Known As: BAS 04435479, methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]-2-thiophenecarboxylate, methyl 4-cyano-3-methyl-5-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}thiophene-2-carboxylate, methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate, methyl 4-cyano-3-methyl-5-(3,4,5-trimethoxybenzamido)thiophene-2-carboxylate
| Molecular Formula | C18H18N2O6S |
|---|---|
| Molecular Weight | 390.09 g/mol |
| LogP | 2.9929 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.08856 |
| Heavy Atoms | 27 |
| Complexity | 903.6587 |
Chemical Identifiers
| CAS Number | 354550-04-2 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC |
Product Overview
BAS 04435479 (CAS 354550-04-2), with molecular formula C18H18N2O6S and molecular weight 390.09 g/mol. IUPAC: methyl 4-cyano-3-methyl-5-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of BAS 04435479
Property Insights of BAS 04435479
The XLogP value of 2.9929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04435479. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04435479. Following Lipinski's Rule of Five, BAS 04435479 has 1 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 BAS 04435479?
The CAS number of BAS 04435479 is 354550-04-2.
What is the molecular formula of BAS 04435479?
The molecular formula of BAS 04435479 is C18H18N2O6S.
What is the molecular weight of BAS 04435479?
The molecular weight of BAS 04435479 is 390.09 g/mol.
Where can I buy BAS 04435479?
You can request a quote for BAS 04435479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04435479?
Yes, KEHONG BIO provides custom synthesis services for BAS 04435479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.