BIM-0022864.P001
TL;DR: BIM-0022864.P001 (CAS 329221-93-4) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0022864.P001, methyl 2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(3-phenylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbox ylate
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 3.9848 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 736.5702 |
Chemical Identifiers
| CAS Number | 329221-93-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC=CC=C3 |
Product Overview
BIM-0022864.P001 (CAS 329221-93-4), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: methyl 2-(3-phenylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0022864.P001
Property Insights of BIM-0022864.P001
The XLogP value of 3.9848 indicates that BIM-0022864.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-0022864.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0022864.P001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0022864.P001?
The CAS number of BIM-0022864.P001 is 329221-93-4.
What is the molecular formula of BIM-0022864.P001?
The molecular formula of BIM-0022864.P001 is C19H21NO3S.
What is the molecular weight of BIM-0022864.P001?
The molecular weight of BIM-0022864.P001 is 343.12 g/mol.
Where can I buy BIM-0022864.P001?
You can request a quote for BIM-0022864.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0022864.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0022864.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.