BAS 00542424
TL;DR: BAS 00542424 (CAS 314023-40-0) is a chemical compound with molecular formula C18H20BrNO4S and molecular weight 425.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00542424, isopropyl 2-[(5-bromo-2-furoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, isopropyl 2-(5-bromofuran-2-carboxamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methylethyl 2-[(5-bromo(2-furyl))carbonylamino]-6-methyl-4,5,6,7-tetrahydroben zo[b]thiophene-3-carboxylate
| Molecular Formula | C18H20BrNO4S |
|---|---|
| Molecular Weight | 425.03 g/mol |
| LogP | 5.0459 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.02963 |
| Heavy Atoms | 25 |
| Complexity | 808.1032 |
Chemical Identifiers
| CAS Number | 314023-40-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(O3)Br |
Product Overview
BAS 00542424 (CAS 314023-40-0), with molecular formula C18H20BrNO4S and molecular weight 425.03 g/mol. IUPAC: propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00542424
Property Insights of BAS 00542424
The XLogP value of 5.0459 indicates that BAS 00542424 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00542424. Following Lipinski's Rule of Five, BAS 00542424 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 00542424?
The CAS number of BAS 00542424 is 314023-40-0.
What is the molecular formula of BAS 00542424?
The molecular formula of BAS 00542424 is C18H20BrNO4S.
What is the molecular weight of BAS 00542424?
The molecular weight of BAS 00542424 is 425.03 g/mol.
Where can I buy BAS 00542424?
You can request a quote for BAS 00542424 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00542424?
Yes, KEHONG BIO provides custom synthesis services for BAS 00542424 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.