Add 17014
TL;DR: Add 17014 (CAS 6340-68-7) is a chemical compound with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-chlorophenyl)-4,5-dihydrotriazol-4-yl]pyridine
Also Known As: Add 17014, 4-[3-(4-chlorophenyl)-4,5-dihydrotriazol-4-yl]pyridine, 4-[1-(4-chlorophenyl)-4,5-dihydro-1h-1,2,3-triazol-5-yl]pyridine, 2-Phenyl-1,2,4-triazolo<2,3-a>pyrimidin, 5-26-11-00290 (Beilstein Handbook Reference)
| Molecular Formula | C13H11ClN4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.06723 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 6340-68-7 |
|---|---|
| SMILES | C1C(N(N=N1)C2=CC=C(C=C2)Cl)C3=CC=NC=C3 |
| InChIKey | VVRREURVTJNTQQ-UHFFFAOYSA-N |
Product Overview
Add 17014 (CAS 6340-68-7), with molecular formula C13H11ClN4 and molecular weight 258.07 g/mol. IUPAC: 4-[3-(4-chlorophenyl)-4,5-dihydrotriazol-4-yl]pyridine.
Chemical Property Profile of Add 17014
Property Insights of Add 17014
The XLogP value of 3.3 indicates that Add 17014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, Add 17014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Add 17014 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 Add 17014?
The CAS number of Add 17014 is 6340-68-7.
What is the molecular formula of Add 17014?
The molecular formula of Add 17014 is C13H11ClN4.
What is the molecular weight of Add 17014?
The molecular weight of Add 17014 is 258.07 g/mol.
Where can I buy Add 17014?
You can request a quote for Add 17014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Add 17014?
Yes, KEHONG BIO provides custom synthesis services for Add 17014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.