16-Hydroxyisotretinoin
TL;DR: 16-Hydroxyisotretinoin (CAS 126532-33-0) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Also Known As: 16-Hydroxyisotretinoin, 16-Hydroxy-isotretinoin, 13-cis-(+-)-16-Hydroxyretinoic acid, (2Z,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
| Molecular Formula | C20H28O3 |
|---|---|
| Molecular Weight | 316.20 g/mol |
| LogP | 4.575 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.20386 |
| Heavy Atoms | 23 |
| Complexity | 588.00806 |
Chemical Identifiers
| CAS Number | 126532-33-0 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)CO)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C |
Product Overview
16-Hydroxyisotretinoin (CAS 126532-33-0), with molecular formula C20H28O3 and molecular weight 316.20 g/mol. IUPAC: (2Z,4E,6E,8E)-9-[6-(hydroxymethyl)-2,6-dimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid.
Chemical Property Profile of 16-Hydroxyisotretinoin
Property Insights of 16-Hydroxyisotretinoin
The XLogP value of 4.575 indicates that 16-Hydroxyisotretinoin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, 16-Hydroxyisotretinoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Hydroxyisotretinoin has 2 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 16-Hydroxyisotretinoin?
The CAS number of 16-Hydroxyisotretinoin is 126532-33-0.
What is the molecular formula of 16-Hydroxyisotretinoin?
The molecular formula of 16-Hydroxyisotretinoin is C20H28O3.
What is the molecular weight of 16-Hydroxyisotretinoin?
The molecular weight of 16-Hydroxyisotretinoin is 316.20 g/mol.
Where can I buy 16-Hydroxyisotretinoin?
You can request a quote for 16-Hydroxyisotretinoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Hydroxyisotretinoin?
Yes, KEHONG BIO provides custom synthesis services for 16-Hydroxyisotretinoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.