3,11-dioxo-olean-12-en-30-oic acid
TL;DR: 3,11-dioxo-olean-12-en-30-oic acid (CAS 75084-19-4) is a chemical compound with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R,5S,7R)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-5-carboximidamide
Also Known As: 3,11-dioxo-olean-12-en-30-oic acid, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-carboximidamide, 1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxo-, (6aR-(6aalpha,8beta,9alpha,9aalpha))-, (6ar,8s,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-8-carboximidamide, (6aR,8S,9R,9aR)-9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-carboximidamide, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-carboximidamide, 1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxo-, (6aR-(6aalpha,8beta,9alpha,9aalpha))-
| Molecular Formula | C18H16N2O7 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.09576 |
| Heavy Atoms | 27 |
| Complexity | 765.0 |
Chemical Identifiers
| CAS Number | 75084-19-4 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)C(=N)N)O |
| InChIKey | RWCZKIAQKVXXFG-GGKPKWOWSA-N |
Product Overview
3,11-dioxo-olean-12-en-30-oic acid (CAS 75084-19-4), with molecular formula C18H16N2O7 and molecular weight 372.10 g/mol. IUPAC: (3R,4R,5S,7R)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-5-carboximidamide.
Chemical Property Profile of 3,11-dioxo-olean-12-en-30-oic acid
Property Insights of 3,11-dioxo-olean-12-en-30-oic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,11-dioxo-olean-12-en-30-oic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting 3,11-dioxo-olean-12-en-30-oic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,11-dioxo-olean-12-en-30-oic acid has 3 hydrogen bond donor(s) and 8 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 3,11-dioxo-olean-12-en-30-oic acid?
The CAS number of 3,11-dioxo-olean-12-en-30-oic acid is 75084-19-4.
What is the molecular formula of 3,11-dioxo-olean-12-en-30-oic acid?
The molecular formula of 3,11-dioxo-olean-12-en-30-oic acid is C18H16N2O7.
What is the molecular weight of 3,11-dioxo-olean-12-en-30-oic acid?
The molecular weight of 3,11-dioxo-olean-12-en-30-oic acid is 372.10 g/mol.
Where can I buy 3,11-dioxo-olean-12-en-30-oic acid?
You can request a quote for 3,11-dioxo-olean-12-en-30-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,11-dioxo-olean-12-en-30-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,11-dioxo-olean-12-en-30-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.