BIM-0046645.P001
TL;DR: BIM-0046645.P001 (CAS 6131-30-2) is a chemical compound with molecular formula C16H11Cl2NO3S2 and molecular weight 398.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate
Also Known As: BIM-0046645.P001, methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate, METHYL 2-[(3,6-DICHLOROBENZOTHIOPHENE-2-CARBONYL)AMINO]-5-METHYL-THIOPHENE-3-CARBOXYLATE, Methyl 2-(3,6-dichloro-1-benzothiophene-2-carboxamido)-5-methylthiophene-3-carboxylate, methyl 2-{[(3,6-dichloro-1-benzothien-2-yl)carbonyl]amino}-5-methyl-3-thiophenecarboxylate
| Molecular Formula | C16H11Cl2NO3S2 |
|---|---|
| Molecular Weight | 398.96 g/mol |
| LogP | 5.61692 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.95575 |
| Heavy Atoms | 24 |
| Complexity | 961.7876 |
Chemical Identifiers
| CAS Number | 6131-30-2 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)OC |
Product Overview
BIM-0046645.P001 (CAS 6131-30-2), with molecular formula C16H11Cl2NO3S2 and molecular weight 398.96 g/mol. IUPAC: methyl 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-5-methylthiophene-3-carboxylate.
Chemical Property Profile of BIM-0046645.P001
Property Insights of BIM-0046645.P001
The XLogP value of 5.61692 indicates that BIM-0046645.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BIM-0046645.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0046645.P001 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 BIM-0046645.P001?
The CAS number of BIM-0046645.P001 is 6131-30-2.
What is the molecular formula of BIM-0046645.P001?
The molecular formula of BIM-0046645.P001 is C16H11Cl2NO3S2.
What is the molecular weight of BIM-0046645.P001?
The molecular weight of BIM-0046645.P001 is 398.96 g/mol.
Where can I buy BIM-0046645.P001?
You can request a quote for BIM-0046645.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046645.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046645.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.