Nigakihemiacetal C
TL;DR: Nigakihemiacetal C (CAS 30760-22-6) is a chemical compound with molecular formula C21H32O6 and molecular weight 380.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,15,16-trihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one
Also Known As: NIGAKIHEMIACETAL C, Nigakihemiacetal F, 11,12,16-Trihydroxy-2-methoxypicras-2-en-1-one, Picras-2-en-1-one, 11,12,16-trihydroxy-2-methoxy-, (11alpha,12beta)-, Picras-2-en-1-one,12,16-trihydroxy-2-methoxy-, (11.alpha.,12.beta.)-
| Molecular Formula | C21H32O6 |
|---|---|
| Molecular Weight | 380.22 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.21988 |
| Heavy Atoms | 27 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 30760-22-6 |
|---|---|
| SMILES | CC1C=C(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(O3)O)C)O)O)C)C)OC |
| InChIKey | XUBQJRDNLZNZRC-UHFFFAOYSA-N |
Product Overview
Nigakihemiacetal C (CAS 30760-22-6), with molecular formula C21H32O6 and molecular weight 380.22 g/mol. IUPAC: 11,15,16-trihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-3-one.
Chemical Property Profile of Nigakihemiacetal C
Property Insights of Nigakihemiacetal C
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nigakihemiacetal C. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nigakihemiacetal C. Following Lipinski's Rule of Five, Nigakihemiacetal C has 3 hydrogen bond donor(s) and 6 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 Nigakihemiacetal C?
The CAS number of Nigakihemiacetal C is 30760-22-6.
What is the molecular formula of Nigakihemiacetal C?
The molecular formula of Nigakihemiacetal C is C21H32O6.
What is the molecular weight of Nigakihemiacetal C?
The molecular weight of Nigakihemiacetal C is 380.22 g/mol.
Where can I buy Nigakihemiacetal C?
You can request a quote for Nigakihemiacetal C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nigakihemiacetal C?
Yes, KEHONG BIO provides custom synthesis services for Nigakihemiacetal C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.