C18H16ClN5
TL;DR: C18H16ClN5 (CAS 899412-28-3) is a chemical compound with molecular formula C18H16ClN5 and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine
Also Known As: (3-chlorophenyl)(2,8,10-trimethyl(5-hydropyrimidino[1',2'-1,5]pyrazolo[3,4-b]p yridin-4-yl))amine, N-(3-chlorophenyl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-4-amine
| Molecular Formula | C18H16ClN5 |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 4.59976 |
| Topological Polar Surface Area | 55.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.10944 |
| Heavy Atoms | 24 |
| Complexity | 1083.8477 |
Chemical Identifiers
| CAS Number | 899412-28-3 |
|---|---|
| SMILES | CC1=CC(=NC2=NN3C(=CC(=NC3=C12)C)NC4=CC(=CC=C4)Cl)C |
Product Overview
C18H16ClN5 (CAS 899412-28-3), with molecular formula C18H16ClN5 and molecular weight 337.11 g/mol. IUPAC: N-(3-chlorophenyl)-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-amine.
Chemical Property Profile of C18H16ClN5
Property Insights of C18H16ClN5
The XLogP value of 4.59976 indicates that C18H16ClN5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.11 Ų, C18H16ClN5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H16ClN5 has 1 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 C18H16ClN5?
The CAS number of C18H16ClN5 is 899412-28-3.
What is the molecular formula of C18H16ClN5?
The molecular formula of C18H16ClN5 is C18H16ClN5.
What is the molecular weight of C18H16ClN5?
The molecular weight of C18H16ClN5 is 337.11 g/mol.
Where can I buy C18H16ClN5?
You can request a quote for C18H16ClN5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16ClN5?
Yes, KEHONG BIO provides custom synthesis services for C18H16ClN5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.