A3099/0131203
TL;DR: A3099/0131203 (CAS 433706-98-0) is a chemical compound with molecular formula C19H16ClNO5S2 and molecular weight 437.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: A3099/0131203, 4-ethyl 2-methyl 5-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate, 4-ETHYL 2-METHYL 5-(3-CHLORO-1-BENZOTHIOPHENE-2-AMIDO)-3-METHYLTHIOPHENE-2,4-DICARBOXYLATE, 4-ethyl 2-methyl 5-(3-chlorobenzo[b]thiophene-2-carboxamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C19H16ClNO5S2 |
|---|---|
| Molecular Weight | 437.02 g/mol |
| LogP | 5.14022 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.01584 |
| Heavy Atoms | 28 |
| Complexity | 1085.619 |
Chemical Identifiers
| CAS Number | 433706-98-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=C(C3=CC=CC=C3S2)Cl |
Product Overview
A3099/0131203 (CAS 433706-98-0), with molecular formula C19H16ClNO5S2 and molecular weight 437.02 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of A3099/0131203
Property Insights of A3099/0131203
The XLogP value of 5.14022 indicates that A3099/0131203 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for A3099/0131203. Following Lipinski's Rule of Five, A3099/0131203 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3099/0131203?
The CAS number of A3099/0131203 is 433706-98-0.
What is the molecular formula of A3099/0131203?
The molecular formula of A3099/0131203 is C19H16ClNO5S2.
What is the molecular weight of A3099/0131203?
The molecular weight of A3099/0131203 is 437.02 g/mol.
Where can I buy A3099/0131203?
You can request a quote for A3099/0131203 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3099/0131203?
Yes, KEHONG BIO provides custom synthesis services for A3099/0131203 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.