Ro 12-0955
TL;DR: Ro 12-0955 (CAS 102855-13-0) is a chemical compound with molecular formula C22H27ClO3 and molecular weight 374.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z,4Z,6Z,8Z)-9-(2-chloro-4-methoxy-3,6-dimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: Ro 12-0955, Ro 12-0995, Ethyl all-trans-9-(2-chloro-3,6-dimethyl-4-methoxyphenyl)-3,7-dimethyl-2,4,6,8-nona-tetraenoate, Ethyl-trans-9-(exo-2-bicyclo-(2,2,2)heptyl)-3,7-dimethyl-2,4,6,8-nonatetranenoate, 2,4,6,8-Nonatetraenoic acid, 9-(2-chloro-4-methoxy-3,6-dimethylphenyl)-3,7-dimethyl-, ethyl ester, (all-E)-
| Molecular Formula | C22H27ClO3 |
|---|---|
| Molecular Weight | 374.16 g/mol |
| LogP | 5.99054 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.1649 |
| Heavy Atoms | 26 |
| Complexity | 768.08234 |
Chemical Identifiers
| CAS Number | 102855-13-0 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\C=C/C=C(/C)\C=C/C1=C(C(=C(C=C1C)OC)C)Cl |
Product Overview
Ro 12-0955 (CAS 102855-13-0), with molecular formula C22H27ClO3 and molecular weight 374.16 g/mol. IUPAC: ethyl (2Z,4Z,6Z,8Z)-9-(2-chloro-4-methoxy-3,6-dimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
Chemical Property Profile of Ro 12-0955
Property Insights of Ro 12-0955
The XLogP value of 5.99054 indicates that Ro 12-0955 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ro 12-0955 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ro 12-0955 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ro 12-0955?
The CAS number of Ro 12-0955 is 102855-13-0.
What is the molecular formula of Ro 12-0955?
The molecular formula of Ro 12-0955 is C22H27ClO3.
What is the molecular weight of Ro 12-0955?
The molecular weight of Ro 12-0955 is 374.16 g/mol.
Where can I buy Ro 12-0955?
You can request a quote for Ro 12-0955 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ro 12-0955?
Yes, KEHONG BIO provides custom synthesis services for Ro 12-0955 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.