苦藏花素
TL;DR: 苦藏花素 (CAS 13991-76-9) is a chemical compound with molecular formula C16H26O7 and molecular weight 330.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苦藏花素
(4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde
Also Known As: Picrocrocin, saffron-bitter, Picrocrocine, Saffronbitter, Safranbitter
| Molecular Formula | C16H26O7 |
|---|---|
| Molecular Weight | 330.17 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.16785 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 13991-76-9 |
|---|---|
| SMILES | CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O |
| InChIKey | WMHJCSAICLADIN-WYWSWGBSSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苦藏花素 (CAS 13991-76-9), with molecular formula C16H26O7 and molecular weight 330.17 g/mol. IUPAC: (4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde.
Chemical Property Profile of 苦藏花素
Property Insights of 苦藏花素
The XLogP value of -0.5 indicates that 苦藏花素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苦藏花素. Following Lipinski's Rule of Five, 苦藏花素 has 4 hydrogen bond donor(s) and 7 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 苦藏花素?
The CAS number of 苦藏花素 is 13991-76-9.
What is the molecular formula of 苦藏花素?
The molecular formula of 苦藏花素 is C16H26O7.
What is the molecular weight of 苦藏花素?
The molecular weight of 苦藏花素 is 330.17 g/mol.
Where can I buy 苦藏花素?
You can request a quote for 苦藏花素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦藏花素?
Yes, KEHONG BIO provides custom synthesis services for 苦藏花素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.