9-Cis-Beta-Carotene
TL;DR: 9-Cis-Beta-Carotene (CAS 13312-52-2) is a chemical compound with molecular formula C40H56 and molecular weight 536.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Also Known As: 9-cis-beta-carotene, beta-carotene, (9Z)-beta-Carotene, 9-cis-, A-Carotene
| Molecular Formula | C40H56 |
|---|---|
| Molecular Weight | 536.44 g/mol |
| LogP | 12.6058 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 10 |
| Exact Mass | 536.4382 |
| Heavy Atoms | 40 |
| Complexity | 1116.383 |
Chemical Identifiers
| CAS Number | 13312-52-2 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C2=C(CCCC2(C)C)C)/C)/C |
Product Overview
9-Cis-Beta-Carotene (CAS 13312-52-2), with molecular formula C40H56 and molecular weight 536.44 g/mol. IUPAC: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene.
Chemical Property Profile of 9-Cis-Beta-Carotene
Property Insights of 9-Cis-Beta-Carotene
The XLogP value of 12.6058 indicates that 9-Cis-Beta-Carotene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 9-Cis-Beta-Carotene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Cis-Beta-Carotene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9-Cis-Beta-Carotene?
The CAS number of 9-Cis-Beta-Carotene is 13312-52-2.
What is the molecular formula of 9-Cis-Beta-Carotene?
The molecular formula of 9-Cis-Beta-Carotene is C40H56.
What is the molecular weight of 9-Cis-Beta-Carotene?
The molecular weight of 9-Cis-Beta-Carotene is 536.44 g/mol.
Where can I buy 9-Cis-Beta-Carotene?
You can request a quote for 9-Cis-Beta-Carotene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Cis-Beta-Carotene?
Yes, KEHONG BIO provides custom synthesis services for 9-Cis-Beta-Carotene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.