BAS 01321553
TL;DR: BAS 01321553 (CAS 337494-00-5) 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-(2-methylpropoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01321553, AN-465/12696003, ethyl 2-(4-isobutoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(4-isobutoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H27NO4S |
|---|---|
| Molecular Weight | 401.17 g/mol |
| LogP | 5.0907 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.16608 |
| Heavy Atoms | 28 |
| Complexity | 838.9668 |
Chemical Identifiers
| CAS Number | 337494-00-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OCC(C)C |
Product Overview
BAS 01321553 (CAS 337494-00-5), with molecular formula C22H27NO4S and molecular weight 401.17 g/mol. IUPAC: ethyl 2-[[4-(2-methylpropoxy)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01321553
Property Insights of BAS 01321553
The XLogP value of 5.0907 indicates that BAS 01321553 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 01321553. Following Lipinski's Rule of Five, BAS 01321553 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 01321553?
The CAS number of BAS 01321553 is 337494-00-5.
What is the molecular formula of BAS 01321553?
The molecular formula of BAS 01321553 is C22H27NO4S.
What is the molecular weight of BAS 01321553?
The molecular weight of BAS 01321553 is 401.17 g/mol.
Where can I buy BAS 01321553?
You can request a quote for BAS 01321553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01321553?
Yes, KEHONG BIO provides custom synthesis services for BAS 01321553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.