靛榄素
TL;DR: 靛榄素 (CAS 6902-77-8) is a chemical compound with molecular formula C11H14O5 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
靛榄素
methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Genipin, (+)-Genipin, Genipin/, Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, I14-1955
| Molecular Formula | C11H14O5 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.08412 |
| Heavy Atoms | 16 |
| Complexity | 357.0 |
| Melting Point | 120 - 121 °C |
Chemical Identifiers
| CAS Number | 6902-77-8 |
|---|---|
| SMILES | COC(=O)C1=COC(C2C1CC=C2CO)O |
| InChIKey | AZKVWQKMDGGDSV-UHFFFAOYSA-N |
Product Overview
靛榄素 (CAS 6902-77-8), with molecular formula C11H14O5 and molecular weight 226.08 g/mol. IUPAC: methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of 靛榄素
Property Insights of 靛榄素
The XLogP value of -0.7 indicates that 靛榄素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 靛榄素. Following Lipinski's Rule of Five, 靛榄素 has 2 hydrogen bond donor(s) and 5 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 靛榄素?
The CAS number of 靛榄素 is 6902-77-8.
What is the molecular formula of 靛榄素?
The molecular formula of 靛榄素 is C11H14O5.
What is the molecular weight of 靛榄素?
The molecular weight of 靛榄素 is 226.08 g/mol.
Where can I buy 靛榄素?
You can request a quote for 靛榄素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 靛榄素?
Yes, KEHONG BIO provides custom synthesis services for 靛榄素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.