5,5-Dimethyl-beta-carotene
TL;DR: 5,5-Dimethyl-beta-carotene (CAS 54783-68-5) is a chemical compound with molecular formula C42H60 and molecular weight 564.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
Also Known As: Dimethyl-beta-carotene, 5,5-Dimethyl-beta-carotene, 2-lithio-5-methylfuran, beta,beta-Carotene, 2,2'-dimethyl-, (2R,2'R)-, 1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
| Molecular Formula | C42H60 |
|---|---|
| Molecular Weight | 564.47 g/mol |
| LogP | 13.0978 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 10 |
| Exact Mass | 564.4695 |
| Heavy Atoms | 42 |
| Complexity | 1176.9587 |
Chemical Identifiers
| CAS Number | 54783-68-5 |
|---|---|
| SMILES | CC1C(C(=C(CC1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCC(C2(C)C)C)C)\C)\C)/C)/C)(C)C |
Product Overview
5,5-Dimethyl-beta-carotene (CAS 54783-68-5), with molecular formula C42H60 and molecular weight 564.47 g/mol. IUPAC: 1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene.
Chemical Property Profile of 5,5-Dimethyl-beta-carotene
Property Insights of 5,5-Dimethyl-beta-carotene
The XLogP value of 13.0978 indicates that 5,5-Dimethyl-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, 5,5-Dimethyl-beta-carotene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-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 5,5-Dimethyl-beta-carotene?
The CAS number of 5,5-Dimethyl-beta-carotene is 54783-68-5.
What is the molecular formula of 5,5-Dimethyl-beta-carotene?
The molecular formula of 5,5-Dimethyl-beta-carotene is C42H60.
What is the molecular weight of 5,5-Dimethyl-beta-carotene?
The molecular weight of 5,5-Dimethyl-beta-carotene is 564.47 g/mol.
Where can I buy 5,5-Dimethyl-beta-carotene?
You can request a quote for 5,5-Dimethyl-beta-carotene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-beta-carotene?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-beta-carotene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.