AB00669997-01
TL;DR: AB00669997-01 (CAS 851810-87-2) is a chemical compound with molecular formula C17H19N5O3S and molecular weight 373.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(4-nitrophenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
Also Known As: AB00669997-01, F0631-0271, 2-methyl-5-((4-nitrophenyl)(piperidin-1-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol, 2-methyl-5-[(4-nitrophenyl)(piperidin-1-yl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol, 2-methyl-5-[(4-nitrophenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
| Molecular Formula | C17H19N5O3S |
|---|---|
| Molecular Weight | 373.12 g/mol |
| LogP | 3.28832 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.12085 |
| Heavy Atoms | 26 |
| Complexity | 943.3683 |
Chemical Identifiers
| CAS Number | 851810-87-2 |
|---|---|
| SMILES | CC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4)O |
Product Overview
AB00669997-01 (CAS 851810-87-2), with molecular formula C17H19N5O3S and molecular weight 373.12 g/mol. IUPAC: 2-methyl-5-[(4-nitrophenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
Chemical Property Profile of AB00669997-01
Property Insights of AB00669997-01
The XLogP value of 3.28832 indicates that AB00669997-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00669997-01. Following Lipinski's Rule of Five, AB00669997-01 has 1 hydrogen bond donor(s) and 7 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 AB00669997-01?
The CAS number of AB00669997-01 is 851810-87-2.
What is the molecular formula of AB00669997-01?
The molecular formula of AB00669997-01 is C17H19N5O3S.
What is the molecular weight of AB00669997-01?
The molecular weight of AB00669997-01 is 373.12 g/mol.
Where can I buy AB00669997-01?
You can request a quote for AB00669997-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00669997-01?
Yes, KEHONG BIO provides custom synthesis services for AB00669997-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.