Prasinoxanthin
TL;DR: Prasinoxanthin (CAS 94705-97-2) is a chemical compound with molecular formula C40H56O4 and molecular weight 600.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
Also Known As: Prasinoxanthin, J1.464.538A, (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, (3S,3 R,6S,6 R)-5,18-Didehydro-5,6,7,8-tetrahydro-3,3 ,6-trihydroxy-8-oxo-beta,epsilon-carotene
| Molecular Formula | C40H56O4 |
|---|---|
| Molecular Weight | 600.42 g/mol |
| LogP | 8.7771 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 600.41785 |
| Heavy Atoms | 44 |
| Complexity | 1334.757 |
Chemical Identifiers
| CAS Number | 94705-97-2 |
|---|---|
| SMILES | CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@]2(C(=C)C[C@H](CC2(C)C)O)O)/C)/C)(C)C)O |
Product Overview
Prasinoxanthin (CAS 94705-97-2), with molecular formula C40H56O4 and molecular weight 600.42 g/mol. IUPAC: (3E,5E,7E,9E,11E,13E,15E,17E)-1-[(1S,4S)-1,4-dihydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one.
Chemical Property Profile of Prasinoxanthin
Property Insights of Prasinoxanthin
The XLogP value of 8.7771 indicates that Prasinoxanthin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Prasinoxanthin. Following Lipinski's Rule of Five, Prasinoxanthin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Prasinoxanthin?
The CAS number of Prasinoxanthin is 94705-97-2.
What is the molecular formula of Prasinoxanthin?
The molecular formula of Prasinoxanthin is C40H56O4.
What is the molecular weight of Prasinoxanthin?
The molecular weight of Prasinoxanthin is 600.42 g/mol.
Where can I buy Prasinoxanthin?
You can request a quote for Prasinoxanthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prasinoxanthin?
Yes, KEHONG BIO provides custom synthesis services for Prasinoxanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.