蝦青素
TL;DR: 蝦青素 (CAS 472-61-7) is a chemical compound with molecular formula C40H52O4 and molecular weight 596.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蝦青素
6-hydroxy-3-[18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
Also Known As: Astaxanthin, AstaFactor, Nanoactive astaxanthin, Spectrum3_001088, Spectrum4_001251
| Molecular Formula | C40H52O4 |
|---|---|
| Molecular Weight | 596.39 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 596.38654 |
| Heavy Atoms | 44 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 472-61-7 |
|---|---|
| SMILES | CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C |
| InChIKey | MQZIGYBFDRPAKN-UHFFFAOYSA-N |
Product Overview
蝦青素 (CAS 472-61-7), with molecular formula C40H52O4 and molecular weight 596.39 g/mol. IUPAC: 6-hydroxy-3-[18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one.
Chemical Property Profile of 蝦青素
Property Insights of 蝦青素
The XLogP value of 10.3 indicates that 蝦青素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 蝦青素. Following Lipinski's Rule of Five, 蝦青素 has 2 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 蝦青素?
The CAS number of 蝦青素 is 472-61-7.
What is the molecular formula of 蝦青素?
The molecular formula of 蝦青素 is C40H52O4.
What is the molecular weight of 蝦青素?
The molecular weight of 蝦青素 is 596.39 g/mol.
Where can I buy 蝦青素?
You can request a quote for 蝦青素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蝦青素?
Yes, KEHONG BIO provides custom synthesis services for 蝦青素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.