BIM-0018094.P001
TL;DR: BIM-0018094.P001 (CAS 312938-91-3) is a chemical compound with molecular formula C20H18ClNO3S2 and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0018094.P001, methyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-chloro-6-methylbenzo[b]thiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(3-chloro-6-methylbenzo[b]thiophen-2-yl)carbonylamino]-4,5,6,7-tetra hydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H18ClNO3S2 |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 5.84232 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.04166 |
| Heavy Atoms | 27 |
| Complexity | 1067.0416 |
Chemical Identifiers
| CAS Number | 312938-91-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC)Cl |
Product Overview
BIM-0018094.P001 (CAS 312938-91-3), with molecular formula C20H18ClNO3S2 and molecular weight 419.04 g/mol. IUPAC: methyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0018094.P001
Property Insights of BIM-0018094.P001
The XLogP value of 5.84232 indicates that BIM-0018094.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-0018094.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0018094.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-0018094.P001?
The CAS number of BIM-0018094.P001 is 312938-91-3.
What is the molecular formula of BIM-0018094.P001?
The molecular formula of BIM-0018094.P001 is C20H18ClNO3S2.
What is the molecular weight of BIM-0018094.P001?
The molecular weight of BIM-0018094.P001 is 419.04 g/mol.
Where can I buy BIM-0018094.P001?
You can request a quote for BIM-0018094.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0018094.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0018094.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.