BAS 00572148
TL;DR: BAS 00572148 (CAS 52535-70-3) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00572148, AE-848/08320021, ethyl 2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(4-methylbenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F0098-0092
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 52535-70-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)C |
| InChIKey | OREHHZRQOREYNN-UHFFFAOYSA-N |
Product Overview
BAS 00572148 (CAS 52535-70-3), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: ethyl 2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00572148
Property Insights of BAS 00572148
The XLogP value of 5.1 indicates that BAS 00572148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00572148. Following Lipinski's Rule of Five, BAS 00572148 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00572148?
The CAS number of BAS 00572148 is 52535-70-3.
What is the molecular formula of BAS 00572148?
The molecular formula of BAS 00572148 is C19H21NO3S.
What is the molecular weight of BAS 00572148?
The molecular weight of BAS 00572148 is 343.12 g/mol.
Where can I buy BAS 00572148?
You can request a quote for BAS 00572148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00572148?
Yes, KEHONG BIO provides custom synthesis services for BAS 00572148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.