BAS 02052660
TL;DR: BAS 02052660 (CAS 309276-87-7) is a chemical compound with molecular formula C21H24ClNO3S and molecular weight 405.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[2-(4-chlorophenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BAS 02052660, isopropyl 2-{[(4-chlorophenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, A2121/0089050, propan-2-yl 2-[[2-(4-chlorophenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, PROPAN-2-YL 2-[2-(4-CHLOROPHENYL)ACETAMIDO]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C21H24ClNO3S |
|---|---|
| Molecular Weight | 405.12 g/mol |
| LogP | 5.4168 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.11655 |
| Heavy Atoms | 27 |
| Complexity | 826.69745 |
Chemical Identifiers
| CAS Number | 309276-87-7 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CC3=CC=C(C=C3)Cl |
Product Overview
BAS 02052660 (CAS 309276-87-7), with molecular formula C21H24ClNO3S and molecular weight 405.12 g/mol. IUPAC: propan-2-yl 2-[[2-(4-chlorophenyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BAS 02052660
Property Insights of BAS 02052660
The XLogP value of 5.4168 indicates that BAS 02052660 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 02052660 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02052660 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 02052660?
The CAS number of BAS 02052660 is 309276-87-7.
What is the molecular formula of BAS 02052660?
The molecular formula of BAS 02052660 is C21H24ClNO3S.
What is the molecular weight of BAS 02052660?
The molecular weight of BAS 02052660 is 405.12 g/mol.
Where can I buy BAS 02052660?
You can request a quote for BAS 02052660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02052660?
Yes, KEHONG BIO provides custom synthesis services for BAS 02052660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.