BIM-0038711.P001
TL;DR: BIM-0038711.P001 (CAS 5953-65-1) is a chemical compound with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)benzoate
Also Known As: BIM-0038711.P001, methyl 4-(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)benzoate, methyl 4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)benzoate
| Molecular Formula | C18H16N2O3S |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 3.317 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.08817 |
| Heavy Atoms | 24 |
| Complexity | 985.9068 |
Chemical Identifiers
| CAS Number | 5953-65-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 |
Product Overview
BIM-0038711.P001 (CAS 5953-65-1), with molecular formula C18H16N2O3S and molecular weight 340.09 g/mol. IUPAC: methyl 4-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)benzoate.
Chemical Property Profile of BIM-0038711.P001
Property Insights of BIM-0038711.P001
The XLogP value of 3.317 indicates that BIM-0038711.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0038711.P001. Following Lipinski's Rule of Five, BIM-0038711.P001 has 1 hydrogen bond donor(s) and 5 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-0038711.P001?
The CAS number of BIM-0038711.P001 is 5953-65-1.
What is the molecular formula of BIM-0038711.P001?
The molecular formula of BIM-0038711.P001 is C18H16N2O3S.
What is the molecular weight of BIM-0038711.P001?
The molecular weight of BIM-0038711.P001 is 340.09 g/mol.
Where can I buy BIM-0038711.P001?
You can request a quote for BIM-0038711.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0038711.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0038711.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.