ChemDiv3_009231
TL;DR: ChemDiv3_009231 (CAS 851808-96-3) is a chemical compound with molecular formula C18H22N4OS and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(4-methylpiperidin-1-yl)-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: ChemDiv3_009231, IDI1_027141, F0631-0003, 2-methyl-5-((4-methylpiperidin-1-yl)(phenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol, 2-methyl-5-[(4-methylpiperidin-1-yl)(phenyl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
| Molecular Formula | C18H22N4OS |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.62612 |
| Topological Polar Surface Area | 53.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.15143 |
| Heavy Atoms | 24 |
| Complexity | 833.45105 |
Chemical Identifiers
| CAS Number | 851808-96-3 |
|---|---|
| SMILES | CC1CCN(CC1)C(C2=CC=CC=C2)C3=C(N4C(=NC(=N4)C)S3)O |
Product Overview
ChemDiv3_009231 (CAS 851808-96-3), with molecular formula C18H22N4OS and molecular weight 342.15 g/mol. IUPAC: 2-methyl-5-[(4-methylpiperidin-1-yl)-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of ChemDiv3_009231
Property Insights of ChemDiv3_009231
The XLogP value of 3.62612 indicates that ChemDiv3_009231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.66 Ų, ChemDiv3_009231 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_009231 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 ChemDiv3_009231?
The CAS number of ChemDiv3_009231 is 851808-96-3.
What is the molecular formula of ChemDiv3_009231?
The molecular formula of ChemDiv3_009231 is C18H22N4OS.
What is the molecular weight of ChemDiv3_009231?
The molecular weight of ChemDiv3_009231 is 342.15 g/mol.
Where can I buy ChemDiv3_009231?
You can request a quote for ChemDiv3_009231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009231?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.