BAS 02052741
TL;DR: BAS 02052741 (CAS 317325-75-0) is a chemical compound with molecular formula C20H18ClNO3S2 and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BAS 02052741, METHYL 2-(3-CHLORO-1-BENZOTHIOPHENE-2-AMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, methyl 2-[(3-chlorobenzo[b]thiophen-2-yl)carbonylamino]-4,5,6,7,8-pentahydrocy clohepta[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C20H18ClNO3S2 |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 5.924 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.04166 |
| Heavy Atoms | 27 |
| Complexity | 1037.4481 |
Chemical Identifiers
| CAS Number | 317325-75-0 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
BAS 02052741 (CAS 317325-75-0), with molecular formula C20H18ClNO3S2 and molecular weight 419.04 g/mol. IUPAC: methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 02052741
Property Insights of BAS 02052741
The XLogP value of 5.924 indicates that BAS 02052741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 02052741 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02052741 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 02052741?
The CAS number of BAS 02052741 is 317325-75-0.
What is the molecular formula of BAS 02052741?
The molecular formula of BAS 02052741 is C20H18ClNO3S2.
What is the molecular weight of BAS 02052741?
The molecular weight of BAS 02052741 is 419.04 g/mol.
Where can I buy BAS 02052741?
You can request a quote for BAS 02052741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02052741?
Yes, KEHONG BIO provides custom synthesis services for BAS 02052741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.