維A酸
TL;DR: 維A酸 (CAS 198541-91-2) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
維A酸
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
Also Known As: Retinoic acid, tretinoin, Vitamin A acid, all-trans-Retinoic acid, trans-Retinoic acid
| Molecular Formula | C20H28O2 |
|---|---|
| Molecular Weight | 300.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.20892 |
| Heavy Atoms | 22 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 198541-91-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C |
| InChIKey | SHGAZHPCJJPHSC-YCNIQYBTSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
維A酸 (CAS 198541-91-2), with molecular formula C20H28O2 and molecular weight 300.21 g/mol. IUPAC: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid.
Chemical Property Profile of 維A酸
Property Insights of 維A酸
The XLogP value of 6.3 indicates that 維A酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 維A酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 維A酸 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 維A酸?
The CAS number of 維A酸 is 198541-91-2.
What is the molecular formula of 維A酸?
The molecular formula of 維A酸 is C20H28O2.
What is the molecular weight of 維A酸?
The molecular weight of 維A酸 is 300.21 g/mol.
Where can I buy 維A酸?
You can request a quote for 維A酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 維A酸?
Yes, KEHONG BIO provides custom synthesis services for 維A酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.