BIM-0044351.P001
TL;DR: BIM-0044351.P001 (CAS 6072-24-8) is a chemical compound with molecular formula C25H22N2O3S2 and molecular weight 462.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate
Also Known As: BIM-0044351.P001, F0739-0005, methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate, 4-(4-Oxo-3-phenyl-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-ylsulfanylmethyl)-benzoic acid methyl ester, methyl 4-(((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)methyl)benzoate
| Molecular Formula | C25H22N2O3S2 |
|---|---|
| Molecular Weight | 462.11 g/mol |
| LogP | 5.4049 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.10718 |
| Heavy Atoms | 32 |
| Complexity | 1341.8724 |
Chemical Identifiers
| CAS Number | 6072-24-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=CC=C5 |
Product Overview
BIM-0044351.P001 (CAS 6072-24-8), with molecular formula C25H22N2O3S2 and molecular weight 462.11 g/mol. IUPAC: methyl 4-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate.
Chemical Property Profile of BIM-0044351.P001
Property Insights of BIM-0044351.P001
The XLogP value of 5.4049 indicates that BIM-0044351.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0044351.P001. Following Lipinski's Rule of Five, BIM-0044351.P001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BIM-0044351.P001?
The CAS number of BIM-0044351.P001 is 6072-24-8.
What is the molecular formula of BIM-0044351.P001?
The molecular formula of BIM-0044351.P001 is C25H22N2O3S2.
What is the molecular weight of BIM-0044351.P001?
The molecular weight of BIM-0044351.P001 is 462.11 g/mol.
Where can I buy BIM-0044351.P001?
You can request a quote for BIM-0044351.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044351.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044351.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.