ChemDiv3_006345
TL;DR: ChemDiv3_006345 (CAS 724779-32-2) is a chemical compound with molecular formula C17H17N3S3 and molecular weight 359.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazole
Also Known As: ChemDiv3_006345, IDI1_024255, 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-4-methyl-5,6,7,8-tetrahydroquinazoline, BRD-K00983546-001-01-1, 2-((((4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio)methyl)thio)benzo[d]thiazole
| Molecular Formula | C17H17N3S3 |
|---|---|
| Molecular Weight | 359.06 g/mol |
| LogP | 5.11542 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.05847 |
| Heavy Atoms | 23 |
| Complexity | 811.21594 |
Chemical Identifiers
| CAS Number | 724779-32-2 |
|---|---|
| SMILES | CC1=C2CCCCC2=NC(=N1)SCSC3=NC4=CC=CC=C4S3 |
Product Overview
ChemDiv3_006345 (CAS 724779-32-2), with molecular formula C17H17N3S3 and molecular weight 359.06 g/mol. IUPAC: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of ChemDiv3_006345
Property Insights of ChemDiv3_006345
The XLogP value of 5.11542 indicates that ChemDiv3_006345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, ChemDiv3_006345 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_006345 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 ChemDiv3_006345?
The CAS number of ChemDiv3_006345 is 724779-32-2.
What is the molecular formula of ChemDiv3_006345?
The molecular formula of ChemDiv3_006345 is C17H17N3S3.
What is the molecular weight of ChemDiv3_006345?
The molecular weight of ChemDiv3_006345 is 359.06 g/mol.
Where can I buy ChemDiv3_006345?
You can request a quote for ChemDiv3_006345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_006345?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_006345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.