4,4'-Didehydro-beta,beta-carotene-3,3'-dione
TL;DR: 4,4'-Didehydro-beta,beta-carotene-3,3'-dione (CAS 2231-40-5) is a chemical compound with molecular formula C40H50O2 and molecular weight 562.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-one
Also Known As: Rhodoxanthin, 4,4'-Didehydro-beta,beta-carotene-3,3'-dione, 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-one, [1,5-Naphthylenebis(iminocarbonyl)]bisphosphonic acid tetrabutyl ester, (4E)-3,5,5-TRIMETHYL-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-3,7,12,16-TE TRAMETHYL-18-(2,6,6-TRIMETHYL-4-OXO-1-CYCLOHEX-2-ENYLIDENE)OCTADECA-2,4,6,8,10,12,14,16-OCTAENYLIDENE]CYCLOHEX-2-EN-1-ONE
| Molecular Formula | C40H50O2 |
|---|---|
| Molecular Weight | 562.38 g/mol |
| LogP | 10.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 562.3811 |
| Heavy Atoms | 42 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 2231-40-5 |
|---|---|
| SMILES | CC1=CC(=O)CC(C1=CC=C(C)C=CC=C(C)C=CC=CC(=CC=CC(=CC=C2C(=CC(=O)CC2(C)C)C)C)C)(C)C |
| InChIKey | VWXMLZQUDPCJPL-UHFFFAOYSA-N |
Product Overview
4,4'-Didehydro-beta,beta-carotene-3,3'-dione (CAS 2231-40-5), with molecular formula C40H50O2 and molecular weight 562.38 g/mol. IUPAC: 3,5,5-trimethyl-4-[3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-ylidene)octadeca-2,4,6,8,10,12,14,16-octaenylidene]cyclohex-2-en-1-one.
Chemical Property Profile of 4,4'-Didehydro-beta,beta-carotene-3,3'-dione
Property Insights of 4,4'-Didehydro-beta,beta-carotene-3,3'-dione
The XLogP value of 10.5 indicates that 4,4'-Didehydro-beta,beta-carotene-3,3'-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4,4'-Didehydro-beta,beta-carotene-3,3'-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Didehydro-beta,beta-carotene-3,3'-dione 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 4,4'-Didehydro-beta,beta-carotene-3,3'-dione?
The CAS number of 4,4'-Didehydro-beta,beta-carotene-3,3'-dione is 2231-40-5.
What is the molecular formula of 4,4'-Didehydro-beta,beta-carotene-3,3'-dione?
The molecular formula of 4,4'-Didehydro-beta,beta-carotene-3,3'-dione is C40H50O2.
What is the molecular weight of 4,4'-Didehydro-beta,beta-carotene-3,3'-dione?
The molecular weight of 4,4'-Didehydro-beta,beta-carotene-3,3'-dione is 562.38 g/mol.
Where can I buy 4,4'-Didehydro-beta,beta-carotene-3,3'-dione?
You can request a quote for 4,4'-Didehydro-beta,beta-carotene-3,3'-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Didehydro-beta,beta-carotene-3,3'-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Didehydro-beta,beta-carotene-3,3'-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.