Javanicin A
TL;DR: Javanicin A (CAS 126167-88-2) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,7R,9R,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Also Known As: Javanicin A, (+)-Javanicin A, (1S,2S,7R,9R,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione, 18-Norpicras-2-ene-1,16-dione, 11-hydroxy-2,12-dimethoxy-, (11alpha,12beta)-, (1S)-1,2,3,3abeta,6abeta,7,7aalpha,11a,11balpha,11c-Decahydro-1alpha-hydroxy-3alpha,11abeta,11cbeta-trimethyl-2beta,10-dimethoxyphenanthro[10,1-bc]pyran-5,11(4H,8H)-dione
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 126167-88-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]2([C@H]([C@@H]([C@H]1OC)O)[C@@]4([C@@H](C3)CC=C(C4=O)OC)C)C |
| InChIKey | PMUBJHMOAGANDY-DQNWMEBPSA-N |
Product Overview
Javanicin A (CAS 126167-88-2), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: (1S,2S,7R,9R,13S,14R,15S,16S,17S)-16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione.
Chemical Property Profile of Javanicin A
Property Insights of Javanicin A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Javanicin A. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Javanicin A. Following Lipinski's Rule of Five, Javanicin A has 1 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 Javanicin A?
The CAS number of Javanicin A is 126167-88-2.
What is the molecular formula of Javanicin A?
The molecular formula of Javanicin A is C21H30O6.
What is the molecular weight of Javanicin A?
The molecular weight of Javanicin A is 378.20 g/mol.
Where can I buy Javanicin A?
You can request a quote for Javanicin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Javanicin A?
Yes, KEHONG BIO provides custom synthesis services for Javanicin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.