印楝酸
TL;DR: 印楝酸 (CAS 11030-74-3) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
印楝酸
(4R,8S,9S,10R)-13-(furan-3-yl)-9-(hydroxymethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-2,4-dicarboxylic acid
Also Known As: NIMBIC ACID, 18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid, 7,15:21,23-diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-, 11-methyl ester, (4alpha,5alpha,6alpha,7alpha,15beta,17alpha)-, (4R,8S,9S,10R)-13-(furan-3-yl)-9-(hydroxymethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-2,4-dicarboxylic acid, (6R,9aS,10S,10aR)-2-(Furan-3-yl)-10-(hydroxymethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-5,6-dicarboxylic acid, 18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid,7,15:21,23-diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-,11-methyl ester,(4alpha,5alpha,6alpha,7alpha,15beta,17alpha)
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 11030-74-3 |
|---|---|
| SMILES | CC1=C2C(CC1C3=COC=C3)OC4[C@@]2([C@@H]([C@@]5(C(C4C(=O)O)[C@](C=CC5=O)(C)C(=O)O)C)CO)C |
| InChIKey | LACLJUZVQWMXBS-VNQZPSTLSA-N |
Product Overview
印楝酸 (CAS 11030-74-3), with molecular formula C26H30O8 and molecular weight 470.19 g/mol. IUPAC: (4R,8S,9S,10R)-13-(furan-3-yl)-9-(hydroxymethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-2,4-dicarboxylic acid.
Chemical Property Profile of 印楝酸
Property Insights of 印楝酸
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 印楝酸. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 印楝酸. Following Lipinski's Rule of Five, 印楝酸 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 印楝酸?
The CAS number of 印楝酸 is 11030-74-3.
What is the molecular formula of 印楝酸?
The molecular formula of 印楝酸 is C26H30O8.
What is the molecular weight of 印楝酸?
The molecular weight of 印楝酸 is 470.19 g/mol.
Where can I buy 印楝酸?
You can request a quote for 印楝酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 印楝酸?
Yes, KEHONG BIO provides custom synthesis services for 印楝酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.