J2.112.012J
TL;DR: J2.112.012J (CAS 96446-14-9) is a chemical compound with molecular formula C18H14N6O3 and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxypropylamino)-8,18-dioxo-1,4,6,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,9,12,14,16-heptaene-9-carbonitrile
Also Known As: J2.112.012J, 3(Or 5)-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium formate, 2-[(3-hydroxypropyl)amino]-6,13-dioxo-11,13-dihydro-6H-1,3,5a,11-tetraazatetraphene-12-carbonitrile, 3-[(3-Hydroxypropyl)amino]-5,12-dioxo-7,12-dihydro-5H-2,4,7,12a-tetraazabenzo[a]anthracene-6-carbonitrile
| Molecular Formula | C18H14N6O3 |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 0.75018 |
| Topological Polar Surface Area | 136.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.11273 |
| Heavy Atoms | 27 |
| Complexity | 1349.3042 |
Chemical Identifiers
| CAS Number | 96446-14-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N3C4=CN=C(N=C4C(=O)C(=C3N2)C#N)NCCCO |
Product Overview
J2.112.012J (CAS 96446-14-9), with molecular formula C18H14N6O3 and molecular weight 362.11 g/mol. IUPAC: 5-(3-hydroxypropylamino)-8,18-dioxo-1,4,6,11-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6,9,12,14,16-heptaene-9-carbonitrile.
Chemical Property Profile of J2.112.012J
Property Insights of J2.112.012J
The XLogP value of 0.75018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.112.012J. The TPSA of 136.17 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.112.012J. Following Lipinski's Rule of Five, J2.112.012J has 3 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 J2.112.012J?
The CAS number of J2.112.012J is 96446-14-9.
What is the molecular formula of J2.112.012J?
The molecular formula of J2.112.012J is C18H14N6O3.
What is the molecular weight of J2.112.012J?
The molecular weight of J2.112.012J is 362.11 g/mol.
Where can I buy J2.112.012J?
You can request a quote for J2.112.012J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.112.012J?
Yes, KEHONG BIO provides custom synthesis services for J2.112.012J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.