BAS 01152309
TL;DR: BAS 01152309 (CAS 302823-80-9) is a chemical compound with molecular formula C20H20BrCl3N2O3S and molecular weight 551.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01152309, ETHYL 2-({1-[(4-BROMOPHENYL)FORMAMIDO]-2,2,2-TRICHLOROETHYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, F0095-2207, ethyl 2-({1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H20BrCl3N2O3S |
|---|---|
| Molecular Weight | 551.94 g/mol |
| LogP | 6.1043 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.94434 |
| Heavy Atoms | 30 |
| Complexity | 928.6133 |
Chemical Identifiers
| CAS Number | 302823-80-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
BAS 01152309 (CAS 302823-80-9), with molecular formula C20H20BrCl3N2O3S and molecular weight 551.94 g/mol. IUPAC: ethyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01152309
Property Insights of BAS 01152309
The XLogP value of 6.1043 indicates that BAS 01152309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01152309. Following Lipinski's Rule of Five, BAS 01152309 has 2 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 01152309?
The CAS number of BAS 01152309 is 302823-80-9.
What is the molecular formula of BAS 01152309?
The molecular formula of BAS 01152309 is C20H20BrCl3N2O3S.
What is the molecular weight of BAS 01152309?
The molecular weight of BAS 01152309 is 551.94 g/mol.
Where can I buy BAS 01152309?
You can request a quote for BAS 01152309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01152309?
Yes, KEHONG BIO provides custom synthesis services for BAS 01152309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.