4-氧代视黄酸
TL;DR: 4-氧代视黄酸 (CAS 112924-95-5) is a chemical compound with molecular formula C20H26O3 and molecular weight 314.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代视黄酸
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Also Known As: 4-Oxoretinoic acid, all-trans-4-oxoretinoic acid, 4-Ketoretinoic acid, 4-Oxotretinoin, 4-oxo-Tretinoin
| Molecular Formula | C20H26O3 |
|---|---|
| Molecular Weight | 314.19 g/mol |
| LogP | 4.7816 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.1882 |
| Heavy Atoms | 23 |
| Complexity | 637.7979 |
Chemical Identifiers
| CAS Number | 112924-95-5 |
|---|---|
| SMILES | CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C |
Product Overview
4-氧代视黄酸 (CAS 112924-95-5), with molecular formula C20H26O3 and molecular weight 314.19 g/mol. IUPAC: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid.
Chemical Property Profile of 4-氧代视黄酸
Property Insights of 4-氧代视黄酸
The XLogP value of 4.7816 indicates that 4-氧代视黄酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 4-氧代视黄酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氧代视黄酸 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 4-氧代视黄酸?
The CAS number of 4-氧代视黄酸 is 112924-95-5.
What is the molecular formula of 4-氧代视黄酸?
The molecular formula of 4-氧代视黄酸 is C20H26O3.
What is the molecular weight of 4-氧代视黄酸?
The molecular weight of 4-氧代视黄酸 is 314.19 g/mol.
Where can I buy 4-氧代视黄酸?
You can request a quote for 4-氧代视黄酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代视黄酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代视黄酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.