ChemDiv3_002582
TL;DR: ChemDiv3_002582 (CAS 431075-29-5) is a chemical compound with molecular formula C16H22N2OS2 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv3_002582, 3-butyl-2-(ethylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, AO-329/14280432, BRD-K50784244-001-01-7, 3-butyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C16H22N2OS2 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.2489 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.11737 |
| Heavy Atoms | 21 |
| Complexity | 702.3454 |
Chemical Identifiers
| CAS Number | 431075-29-5 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(N=C1SCC)SC3=C2CCCC3 |
Product Overview
ChemDiv3_002582 (CAS 431075-29-5), with molecular formula C16H22N2OS2 and molecular weight 322.12 g/mol. IUPAC: 3-butyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of ChemDiv3_002582
Property Insights of ChemDiv3_002582
The XLogP value of 4.2489 indicates that ChemDiv3_002582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, ChemDiv3_002582 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002582 has 0 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 ChemDiv3_002582?
The CAS number of ChemDiv3_002582 is 431075-29-5.
What is the molecular formula of ChemDiv3_002582?
The molecular formula of ChemDiv3_002582 is C16H22N2OS2.
What is the molecular weight of ChemDiv3_002582?
The molecular weight of ChemDiv3_002582 is 322.12 g/mol.
Where can I buy ChemDiv3_002582?
You can request a quote for ChemDiv3_002582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002582?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.