10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile
TL;DR: 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile (CAS 50870-04-7) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile
Also Known As: 10-amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile, ZERO/004660, 9-Phenanthrenecarbonitrile, 10-amino-1,2,3,4,5,6,7,8-octahydro-, AO-080/41280629, 10-amino-1,2,3,4,5,6,7,8-octahydro-9-phenanthrenecarbonitrile
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 2.89808 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 508.87872 |
Chemical Identifiers
| CAS Number | 50870-04-7 |
|---|---|
| SMILES | C1CCC2=C(C(=C3CCCCC3=C2C1)N)C#N |
Product Overview
10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile (CAS 50870-04-7), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: 10-amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile.
Chemical Property Profile of 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile
Property Insights of 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile
The XLogP value of 2.89808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile. With a topological polar surface area (TPSA) of 49.81 Ų, 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile has 1 hydrogen bond donor(s) and 2 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 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile?
The CAS number of 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile is 50870-04-7.
What is the molecular formula of 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile?
The molecular formula of 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile is C15H18N2.
What is the molecular weight of 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile?
The molecular weight of 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile is 226.15 g/mol.
Where can I buy 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile?
You can request a quote for 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 10-Amino-1,2,3,4,5,6,7,8-octahydrophenanthrene-9-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.