4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene
TL;DR: 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene (CAS 473-05-2) is a chemical compound with molecular formula C40H56O and molecular weight 552.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,7a-trimethyl-2-[6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran
Also Known As: Flavochrome, 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene
| Molecular Formula | C40H56O |
|---|---|
| Molecular Weight | 552.43 g/mol |
| LogP | 12.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.4331 |
| Heavy Atoms | 41 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 473-05-2 |
|---|---|
| SMILES | CC1=CCCC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C2C=C3C(CCCC3(O2)C)(C)C)C)C)(C)C |
| InChIKey | QWVMSYBGKWZIIE-UHFFFAOYSA-N |
Product Overview
4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene (CAS 473-05-2), with molecular formula C40H56O and molecular weight 552.43 g/mol. IUPAC: 4,4,7a-trimethyl-2-[6,11,15-trimethyl-17-(2,6,6-trimethylcyclohex-2-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,5,6,7-tetrahydro-1-benzofuran.
Chemical Property Profile of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene
Property Insights of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene
The XLogP value of 12.5 indicates that 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene?
The CAS number of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene is 473-05-2.
What is the molecular formula of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene?
The molecular formula of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene is C40H56O.
What is the molecular weight of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene?
The molecular weight of 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene is 552.43 g/mol.
Where can I buy 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene?
You can request a quote for 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene?
Yes, KEHONG BIO provides custom synthesis services for 4',5'-Didehydro-5,5',6',8-tetrahydro-5,8-epoxy-beta,beta-carotene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.