巨大戟醇
TL;DR: 巨大戟醇 (CAS 30220-46-3) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
巨大戟醇
4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one
Also Known As: ingenol, Ingenol?, (-)-Ingenol, Ingenol [M+H]+, 4,5,6-Trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 707.0 |
Chemical Identifiers
| CAS Number | 30220-46-3 |
|---|---|
| SMILES | CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4O)C)O)O)CO |
| InChIKey | VEBVPUXQAPLADL-UHFFFAOYSA-N |
Product Overview
巨大戟醇 (CAS 30220-46-3), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: 4,5,6-trihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one.
Chemical Property Profile of 巨大戟醇
Property Insights of 巨大戟醇
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 巨大戟醇. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 巨大戟醇. Following Lipinski's Rule of Five, 巨大戟醇 has 4 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 巨大戟醇?
The CAS number of 巨大戟醇 is 30220-46-3.
What is the molecular formula of 巨大戟醇?
The molecular formula of 巨大戟醇 is C20H28O5.
What is the molecular weight of 巨大戟醇?
The molecular weight of 巨大戟醇 is 348.19 g/mol.
Where can I buy 巨大戟醇?
You can request a quote for 巨大戟醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 巨大戟醇?
Yes, KEHONG BIO provides custom synthesis services for 巨大戟醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.