BIM-0028602.P001
TL;DR: BIM-0028602.P001 (CAS 303135-40-2) is a chemical compound with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: BIM-0028602.P001, AB00093846-01, methyl 5-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate, methyl 5-(3-chloro-6-methyl-1-benzothiophene-2-amido)-4-cyano-3-methylthiophene-2-carboxylate, methyl 5-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4-cyano-3-methyl-2-thiophenecarboxylate
| Molecular Formula | C18H13ClN2O3S2 |
|---|---|
| Molecular Weight | 404.01 g/mol |
| LogP | 5.14362 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.0056 |
| Heavy Atoms | 26 |
| Complexity | 1092.2253 |
Chemical Identifiers
| CAS Number | 303135-40-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C(=C(S3)C(=O)OC)C)C#N)Cl |
Product Overview
BIM-0028602.P001 (CAS 303135-40-2), with molecular formula C18H13ClN2O3S2 and molecular weight 404.01 g/mol. IUPAC: methyl 5-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of BIM-0028602.P001
Property Insights of BIM-0028602.P001
The XLogP value of 5.14362 indicates that BIM-0028602.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0028602.P001. Following Lipinski's Rule of Five, BIM-0028602.P001 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0028602.P001?
The CAS number of BIM-0028602.P001 is 303135-40-2.
What is the molecular formula of BIM-0028602.P001?
The molecular formula of BIM-0028602.P001 is C18H13ClN2O3S2.
What is the molecular weight of BIM-0028602.P001?
The molecular weight of BIM-0028602.P001 is 404.01 g/mol.
Where can I buy BIM-0028602.P001?
You can request a quote for BIM-0028602.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0028602.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0028602.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.