BAS 00400904
TL;DR: BAS 00400904 (CAS 329219-63-8) is a chemical compound with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00400904, AI-204/31760025, ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-[(5-bromo-2-furoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester, ethyl 2-(5-bromofuran-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C16H16BrNO4S |
|---|---|
| Molecular Weight | 397.00 g/mol |
| LogP | 4.4114 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.99835 |
| Heavy Atoms | 23 |
| Complexity | 749.34436 |
Chemical Identifiers
| CAS Number | 329219-63-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)Br |
Product Overview
BAS 00400904 (CAS 329219-63-8), with molecular formula C16H16BrNO4S and molecular weight 397.00 g/mol. IUPAC: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00400904
Property Insights of BAS 00400904
The XLogP value of 4.4114 indicates that BAS 00400904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00400904. Following Lipinski's Rule of Five, BAS 00400904 has 1 hydrogen bond donor(s) and 5 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 00400904?
The CAS number of BAS 00400904 is 329219-63-8.
What is the molecular formula of BAS 00400904?
The molecular formula of BAS 00400904 is C16H16BrNO4S.
What is the molecular weight of BAS 00400904?
The molecular weight of BAS 00400904 is 397.00 g/mol.
Where can I buy BAS 00400904?
You can request a quote for BAS 00400904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00400904?
Yes, KEHONG BIO provides custom synthesis services for BAS 00400904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.