BIM-0033876.P001
TL;DR: BIM-0033876.P001 (CAS 312950-39-3) is a chemical compound with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0033876.P001, J2.865.896F, AB00097408-01, methyl 2-[(phenylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H18N2O2S2 |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.08096 |
| Heavy Atoms | 23 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 312950-39-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=CC=C3 |
| InChIKey | AZTPNBVWBLYMPI-UHFFFAOYSA-N |
Product Overview
BIM-0033876.P001 (CAS 312950-39-3), with molecular formula C17H18N2O2S2 and molecular weight 346.08 g/mol. IUPAC: methyl 2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0033876.P001
Property Insights of BIM-0033876.P001
The XLogP value of 4.7 indicates that BIM-0033876.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0033876.P001. Following Lipinski's Rule of Five, BIM-0033876.P001 has 2 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-0033876.P001?
The CAS number of BIM-0033876.P001 is 312950-39-3.
What is the molecular formula of BIM-0033876.P001?
The molecular formula of BIM-0033876.P001 is C17H18N2O2S2.
What is the molecular weight of BIM-0033876.P001?
The molecular weight of BIM-0033876.P001 is 346.08 g/mol.
Where can I buy BIM-0033876.P001?
You can request a quote for BIM-0033876.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0033876.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0033876.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.