3'-Deoxycapsanthin
TL;DR: 3'-Deoxycapsanthin (CAS 7044-42-0) is a chemical compound with molecular formula C40H56O2 and molecular weight 568.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethyl-1-[(1R)-1,2,2-trimethylcyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Also Known As: 3'-Deoxycapsanthin, 3 -Deoxycapsanthin, J1.998.453B, (3R)-3-Hydroxy-beta,kappa-carotene-6 -one, (3R,5'R)-3-hydroxy-beta,kappa-caroten-6'-one
| Molecular Formula | C40H56O2 |
|---|---|
| Molecular Weight | 568.43 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 568.42804 |
| Heavy Atoms | 42 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 7044-42-0 |
|---|---|
| SMILES | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)[C@@]2(CCCC2(C)C)C)/C)/C |
| InChIKey | ZPLDHICCJOHBSS-WCODUNAQSA-N |
Product Overview
3'-Deoxycapsanthin (CAS 7044-42-0), with molecular formula C40H56O2 and molecular weight 568.43 g/mol. IUPAC: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-4,8,13,17-tetramethyl-1-[(1R)-1,2,2-trimethylcyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one.
Chemical Property Profile of 3'-Deoxycapsanthin
Property Insights of 3'-Deoxycapsanthin
The XLogP value of 11.9 indicates that 3'-Deoxycapsanthin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3'-Deoxycapsanthin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Deoxycapsanthin 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 3'-Deoxycapsanthin?
The CAS number of 3'-Deoxycapsanthin is 7044-42-0.
What is the molecular formula of 3'-Deoxycapsanthin?
The molecular formula of 3'-Deoxycapsanthin is C40H56O2.
What is the molecular weight of 3'-Deoxycapsanthin?
The molecular weight of 3'-Deoxycapsanthin is 568.43 g/mol.
Where can I buy 3'-Deoxycapsanthin?
You can request a quote for 3'-Deoxycapsanthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxycapsanthin?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxycapsanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.