BAS 00734190
TL;DR: BAS 00734190 (CAS 300852-73-7) is a chemical compound with molecular formula C22H27NO4S and molecular weight 401.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-butoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00734190, AE-848/09435060, ethyl 2-[(4-butoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(4-butoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{[(4-butoxyphenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H27NO4S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 5.2348 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.16608 |
| Heavy Atoms | 28 |
| Complexity | 825.80743 |
Chemical Identifiers
| CAS Number | 300852-73-7 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC |
Product Overview
BAS 00734190 (CAS 300852-73-7), with molecular formula C22H27NO4S and molecular weight 401.17 g/mol. IUPAC: ethyl 2-[(4-butoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00734190
Property Insights of BAS 00734190
The XLogP value of 5.2348 indicates that BAS 00734190 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00734190. Following Lipinski's Rule of Five, BAS 00734190 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00734190?
The CAS number of BAS 00734190 is 300852-73-7.
What is the molecular formula of BAS 00734190?
The molecular formula of BAS 00734190 is C22H27NO4S.
What is the molecular weight of BAS 00734190?
The molecular weight of BAS 00734190 is 401.17 g/mol.
Where can I buy BAS 00734190?
You can request a quote for BAS 00734190 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00734190?
Yes, KEHONG BIO provides custom synthesis services for BAS 00734190 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.