J1.835.507H
TL;DR: J1.835.507H (CAS 518314-79-9) is a chemical compound with molecular formula C11H17N3 and molecular weight 191.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,6S,7R)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile
Also Known As: J1.835.507H, (1R,3R,6S,7R)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile, (4alpha,7S)-1beta,7-Dimethyl-9-amino-2alpha,7-(epiminomethano)bicyclo[2.2.1]heptane-2-carbonitrile, 1,4-Methanocyclopenta[c]pyrrole-1(2H)-carbonitrile, 2-aminohexahydro-3a,6a-dimethyl-, (1R,3aS,4R,6aR)- (9CI)
| Molecular Formula | C11H17N3 |
|---|---|
| Molecular Weight | 191.14 g/mol |
| LogP | 1.26438 |
| Topological Polar Surface Area | 53.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.14224 |
| Heavy Atoms | 14 |
| Complexity | 346.93204 |
Chemical Identifiers
| CAS Number | 518314-79-9 |
|---|---|
| SMILES | C[C@@]12CC[C@H]3[C@@]1(CN([C@@]2(C3)C#N)N)C |
Product Overview
J1.835.507H (CAS 518314-79-9), with molecular formula C11H17N3 and molecular weight 191.14 g/mol. IUPAC: (1R,3R,6S,7R)-4-amino-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonane-3-carbonitrile.
Chemical Property Profile of J1.835.507H
Property Insights of J1.835.507H
The XLogP value of 1.26438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.835.507H. With a topological polar surface area (TPSA) of 53.05 Ų, J1.835.507H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J1.835.507H has 1 hydrogen bond donor(s) and 3 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 J1.835.507H?
The CAS number of J1.835.507H is 518314-79-9.
What is the molecular formula of J1.835.507H?
The molecular formula of J1.835.507H is C11H17N3.
What is the molecular weight of J1.835.507H?
The molecular weight of J1.835.507H is 191.14 g/mol.
Where can I buy J1.835.507H?
You can request a quote for J1.835.507H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.835.507H?
Yes, KEHONG BIO provides custom synthesis services for J1.835.507H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.