BAS 00354814
TL;DR: BAS 00354814 (CAS 324073-40-7) is a chemical compound with molecular formula C19H18BrCl3N2O3S and molecular weight 537.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00354814, methyl 2-((1-(4-bromobenzamido)-2,2,2-trichloroethyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, METHYL 2-({1-[(4-BROMOBENZOYL)AMINO]-2,2,2-TRICHLOROETHYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, methyl 2-[(1-{[(4-bromophenyl)carbonyl]amino}-2,2,2-trichloroethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H18BrCl3N2O3S |
|---|---|
| Molecular Weight | 537.93 g/mol |
| LogP | 5.7142 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.9287 |
| Heavy Atoms | 29 |
| Complexity | 912.65857 |
Chemical Identifiers
| CAS Number | 324073-40-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)Br |
Product Overview
BAS 00354814 (CAS 324073-40-7), with molecular formula C19H18BrCl3N2O3S and molecular weight 537.93 g/mol. IUPAC: methyl 2-[[1-[(4-bromobenzoyl)amino]-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00354814
Property Insights of BAS 00354814
The XLogP value of 5.7142 indicates that BAS 00354814 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 00354814. Following Lipinski's Rule of Five, BAS 00354814 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 00354814?
The CAS number of BAS 00354814 is 324073-40-7.
What is the molecular formula of BAS 00354814?
The molecular formula of BAS 00354814 is C19H18BrCl3N2O3S.
What is the molecular weight of BAS 00354814?
The molecular weight of BAS 00354814 is 537.93 g/mol.
Where can I buy BAS 00354814?
You can request a quote for BAS 00354814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00354814?
Yes, KEHONG BIO provides custom synthesis services for BAS 00354814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.