13-cis-RetinoicAcidEthylEster
TL;DR: 13-cis-RetinoicAcidEthylEster (CAS 59699-82-0) is a chemical compound with molecular formula C22H32O2 and molecular weight 328.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
Also Known As: 13-cis-RetinoicAcidEthylEster, 13-cis-Retinoic Acid Ethyl Ester
| Molecular Formula | C22H32O2 |
|---|---|
| Molecular Weight | 328.24 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.24023 |
| Heavy Atoms | 24 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 59699-82-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C |
| InChIKey | ZELWYCSDHIFMOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
13-cis-RetinoicAcidEthylEster (CAS 59699-82-0), with molecular formula C22H32O2 and molecular weight 328.24 g/mol. IUPAC: ethyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate.
Chemical Property Profile of 13-cis-RetinoicAcidEthylEster
Property Insights of 13-cis-RetinoicAcidEthylEster
The XLogP value of 7.0 indicates that 13-cis-RetinoicAcidEthylEster is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 13-cis-RetinoicAcidEthylEster exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-cis-RetinoicAcidEthylEster has 0 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 13-cis-RetinoicAcidEthylEster?
The CAS number of 13-cis-RetinoicAcidEthylEster is 59699-82-0.
What is the molecular formula of 13-cis-RetinoicAcidEthylEster?
The molecular formula of 13-cis-RetinoicAcidEthylEster is C22H32O2.
What is the molecular weight of 13-cis-RetinoicAcidEthylEster?
The molecular weight of 13-cis-RetinoicAcidEthylEster is 328.24 g/mol.
Where can I buy 13-cis-RetinoicAcidEthylEster?
You can request a quote for 13-cis-RetinoicAcidEthylEster directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-cis-RetinoicAcidEthylEster?
Yes, KEHONG BIO provides custom synthesis services for 13-cis-RetinoicAcidEthylEster and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.