BIM-0042153.P001
TL;DR: BIM-0042153.P001 (CAS 329068-50-0) 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-[(4-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: BIM-0042153.P001, methyl 2-[(4-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, Methyl 2-(4-methylbenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-(4-METHYLBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[(4-methylphenyl)carbonylamino]-4,5,6,7,8-pentahydrocyclohepta[2,1-b] thiophene-3-carboxylate
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 329068-50-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OC |
| InChIKey | HSPLHVOLFSLZIZ-UHFFFAOYSA-N |
Product Overview
BIM-0042153.P001 (CAS 329068-50-0), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: methyl 2-[(4-methylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of BIM-0042153.P001
Property Insights of BIM-0042153.P001
The XLogP value of 5.3 indicates that BIM-0042153.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0042153.P001. Following Lipinski's Rule of Five, BIM-0042153.P001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0042153.P001?
The CAS number of BIM-0042153.P001 is 329068-50-0.
What is the molecular formula of BIM-0042153.P001?
The molecular formula of BIM-0042153.P001 is C19H21NO3S.
What is the molecular weight of BIM-0042153.P001?
The molecular weight of BIM-0042153.P001 is 343.12 g/mol.
Where can I buy BIM-0042153.P001?
You can request a quote for BIM-0042153.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0042153.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0042153.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.