BAS 04435401
TL;DR: BAS 04435401 (CAS 443121-93-5) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
Also Known As: BAS 04435401, AP-970/41082076, ethyl 4-cyano-5-{[(4-methoxyphenoxy)acetyl]amino}-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-(2-(4-methoxyphenoxy)acetamido)-3-methylthiophene-2-carboxylate, F2590-1638
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.131 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 836.5017 |
Chemical Identifiers
| CAS Number | 443121-93-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)COC2=CC=C(C=C2)OC)C#N)C |
Product Overview
BAS 04435401 (CAS 443121-93-5), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: ethyl 4-cyano-5-[[2-(4-methoxyphenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of BAS 04435401
Property Insights of BAS 04435401
The XLogP value of 3.131 indicates that BAS 04435401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04435401. Following Lipinski's Rule of Five, BAS 04435401 has 1 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 BAS 04435401?
The CAS number of BAS 04435401 is 443121-93-5.
What is the molecular formula of BAS 04435401?
The molecular formula of BAS 04435401 is C18H18N2O5S.
What is the molecular weight of BAS 04435401?
The molecular weight of BAS 04435401 is 374.09 g/mol.
Where can I buy BAS 04435401?
You can request a quote for BAS 04435401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04435401?
Yes, KEHONG BIO provides custom synthesis services for BAS 04435401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.