(4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid
TL;DR: (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid (CAS 10391-47-6) is a chemical compound with molecular formula C19H28O4 and molecular weight 320.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R,7R,9R,10S,13S,15S)-7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Also Known As: atractyligenin, EINECS 233-855-5, 4-Toluenesulfonyl semicarbazide, (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid, (4R,5R,7R,9R,10S,13S,15S)-7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
| Molecular Formula | C19H28O4 |
|---|---|
| Molecular Weight | 320.20 g/mol |
| LogP | 2.5916 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.19876 |
| Heavy Atoms | 23 |
| Complexity | 557.5729 |
Chemical Identifiers
| CAS Number | 10391-47-6 |
|---|---|
| SMILES | C[C@@]12C[C@@H](C[C@H]([C@H]1CCC34[C@H]2CC[C@@H](C3)C(=C)[C@@H]4O)C(=O)O)O |
Product Overview
(4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid (CAS 10391-47-6), with molecular formula C19H28O4 and molecular weight 320.20 g/mol. IUPAC: (4R,5R,7R,9R,10S,13S,15S)-7,15-dihydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid.
Chemical Property Profile of (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid
Property Insights of (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid
The XLogP value of 2.5916 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid. Following Lipinski's Rule of Five, (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid has 3 hydrogen bond donor(s) and 3 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 (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid?
The CAS number of (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid is 10391-47-6.
What is the molecular formula of (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid?
The molecular formula of (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid is C19H28O4.
What is the molecular weight of (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid?
The molecular weight of (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid is 320.20 g/mol.
Where can I buy (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid?
You can request a quote for (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid?
Yes, KEHONG BIO provides custom synthesis services for (4alpha)-2beta,15alpha-Dihydroxy-19-norkaur-16-en-18-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.