BAS 00843079
TL;DR: BAS 00843079 (CAS 301680-37-5) is a chemical compound with molecular formula C19H19Cl2NO4S and molecular weight 427.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,6-dichloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00843079, BIM-0042191.P001, AF-399/11787583, ethyl 2-[(3,6-dichloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(3,6-DICHLORO-2-METHOXYBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C19H19Cl2NO4S |
|---|---|
| Molecular Weight | 427.04 g/mol |
| LogP | 5.3713 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.0412 |
| Heavy Atoms | 27 |
| Complexity | 894.3202 |
Chemical Identifiers
| CAS Number | 301680-37-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3OC)Cl)Cl |
Product Overview
BAS 00843079 (CAS 301680-37-5), with molecular formula C19H19Cl2NO4S and molecular weight 427.04 g/mol. IUPAC: ethyl 2-[(3,6-dichloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00843079
Property Insights of BAS 00843079
The XLogP value of 5.3713 indicates that BAS 00843079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00843079. Following Lipinski's Rule of Five, BAS 00843079 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 00843079?
The CAS number of BAS 00843079 is 301680-37-5.
What is the molecular formula of BAS 00843079?
The molecular formula of BAS 00843079 is C19H19Cl2NO4S.
What is the molecular weight of BAS 00843079?
The molecular weight of BAS 00843079 is 427.04 g/mol.
Where can I buy BAS 00843079?
You can request a quote for BAS 00843079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00843079?
Yes, KEHONG BIO provides custom synthesis services for BAS 00843079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.