Crocusatin H
TL;DR: Crocusatin H (CAS 474266-67-6) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-hydroxy-3-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propanoic acid
Also Known As: Crocusatin H, J1.828.824I, 3-Hydroxy-3-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-propionic acid, (3S)-3-hydroxy-3-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propanoic acid, (3S)-3-hydroxy-3-((4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)propanoic acid
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 474266-67-6 |
|---|---|
| SMILES | CC1=C(C(C[C@H](C1)O)(C)C)[C@H](CC(=O)O)O |
| InChIKey | FSOYBCXXCQPHMB-IUCAKERBSA-N |
Product Overview
Crocusatin H (CAS 474266-67-6), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: (3S)-3-hydroxy-3-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]propanoic acid.
Chemical Property Profile of Crocusatin H
Property Insights of Crocusatin H
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Crocusatin H. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Crocusatin H. Following Lipinski's Rule of Five, Crocusatin H has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crocusatin H?
The CAS number of Crocusatin H is 474266-67-6.
What is the molecular formula of Crocusatin H?
The molecular formula of Crocusatin H is C12H20O4.
What is the molecular weight of Crocusatin H?
The molecular weight of Crocusatin H is 228.14 g/mol.
Where can I buy Crocusatin H?
You can request a quote for Crocusatin H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crocusatin H?
Yes, KEHONG BIO provides custom synthesis services for Crocusatin H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.