all-trans-Retinonitrile
TL;DR: all-trans-Retinonitrile (CAS 20638-89-5) is a chemical compound with molecular formula C20H27N and molecular weight 281.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenenitrile
Also Known As: all-trans-Retinonitrile, 13-cis-Retinonitrile, all-trans-Vitamin A Nitrile, J1.561.136G, J1.735.787E
| Molecular Formula | C20H27N |
|---|---|
| Molecular Weight | 281.21 g/mol |
| LogP | 6.04158 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.21436 |
| Heavy Atoms | 21 |
| Complexity | 557.13605 |
Chemical Identifiers
| CAS Number | 20638-89-5 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C#N)/C)/C |
Product Overview
all-trans-Retinonitrile (CAS 20638-89-5), with molecular formula C20H27N and molecular weight 281.21 g/mol. IUPAC: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenenitrile.
Chemical Property Profile of all-trans-Retinonitrile
Property Insights of all-trans-Retinonitrile
The XLogP value of 6.04158 indicates that all-trans-Retinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, all-trans-Retinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, all-trans-Retinonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of all-trans-Retinonitrile?
The CAS number of all-trans-Retinonitrile is 20638-89-5.
What is the molecular formula of all-trans-Retinonitrile?
The molecular formula of all-trans-Retinonitrile is C20H27N.
What is the molecular weight of all-trans-Retinonitrile?
The molecular weight of all-trans-Retinonitrile is 281.21 g/mol.
Where can I buy all-trans-Retinonitrile?
You can request a quote for all-trans-Retinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for all-trans-Retinonitrile?
Yes, KEHONG BIO provides custom synthesis services for all-trans-Retinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.