ChemDiv3_004362
TL;DR: ChemDiv3_004362 (CAS 57262-78-9) is a chemical compound with molecular formula C19H22N2OS and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-benzyl-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)ethanone
Also Known As: ChemDiv3_004362, IDI1_022272, BRD-K91079319-001-01-3, F1396-0077, 1-{4-benzyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7)-dien-6-yl}ethan-1-one
| Molecular Formula | C19H22N2OS |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1453 |
| Heavy Atoms | 23 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 57262-78-9 |
|---|---|
| SMILES | CC(=O)N1CN(CC2=C1SC3=C2CCCC3)CC4=CC=CC=C4 |
| InChIKey | HKQKKYYNDLPMLR-UHFFFAOYSA-N |
Product Overview
ChemDiv3_004362 (CAS 57262-78-9), with molecular formula C19H22N2OS and molecular weight 326.15 g/mol. IUPAC: 1-(3-benzyl-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)ethanone.
Chemical Property Profile of ChemDiv3_004362
Property Insights of ChemDiv3_004362
The XLogP value of 3.7 indicates that ChemDiv3_004362 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, ChemDiv3_004362 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004362 has 0 hydrogen bond donor(s) and 3 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_004362?
The CAS number of ChemDiv3_004362 is 57262-78-9.
What is the molecular formula of ChemDiv3_004362?
The molecular formula of ChemDiv3_004362 is C19H22N2OS.
What is the molecular weight of ChemDiv3_004362?
The molecular weight of ChemDiv3_004362 is 326.15 g/mol.
Where can I buy ChemDiv3_004362?
You can request a quote for ChemDiv3_004362 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004362?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004362 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.