BAS 02052636
TL;DR: BAS 02052636 (CAS 332874-20-1) is a chemical compound with molecular formula C20H20F3NO3S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[3-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 02052636, A2322/0097946, isopropyl 2-(3-(trifluoromethyl)benzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-{[3-(trifluoromethyl)phenyl]carbonylamino}-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate, propan-2-yl 2-({[3-(trifluoromethyl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H20F3NO3S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 5.4632 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.1116 |
| Heavy Atoms | 28 |
| Complexity | 902.58624 |
Chemical Identifiers
| CAS Number | 332874-20-1 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
BAS 02052636 (CAS 332874-20-1), with molecular formula C20H20F3NO3S and molecular weight 411.11 g/mol. IUPAC: propan-2-yl 2-[[3-(trifluoromethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 02052636
Property Insights of BAS 02052636
The XLogP value of 5.4632 indicates that BAS 02052636 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 02052636 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02052636 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 02052636?
The CAS number of BAS 02052636 is 332874-20-1.
What is the molecular formula of BAS 02052636?
The molecular formula of BAS 02052636 is C20H20F3NO3S.
What is the molecular weight of BAS 02052636?
The molecular weight of BAS 02052636 is 411.11 g/mol.
Where can I buy BAS 02052636?
You can request a quote for BAS 02052636 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02052636?
Yes, KEHONG BIO provides custom synthesis services for BAS 02052636 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.