NIGAKILACTONE H
TL;DR: NIGAKILACTONE H (CAS 30248-06-7) is a chemical compound with molecular formula C22H32O8 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6S,7S,13S,14R,15R,16S,17S)-13,14,16-trihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Also Known As: NIGAKILACTONE H, Picras-2-ene-1,16-dione, 11,13,14-trihydroxy-2,12-dimethoxy-, (11.alpha.,12.beta.)-, Picras-2-ene-1,16-dione, 11,13,14-trihydroxy-2,12-dimethoxy-, (11alpha,12beta)-, Phenanthro[10,1-bc]pyran-5,11(1H,4H)-dione, 2,3,3a,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,3.beta.,3a.beta.-trihydroxy-2.beta.,10-dimethoxy-3,8.alpha.,11a.beta.,11c.beta.-tetramethyl-
| Molecular Formula | C22H32O8 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.20972 |
| Heavy Atoms | 30 |
| Complexity | 824.0 |
Chemical Identifiers
| CAS Number | 30248-06-7 |
|---|---|
| SMILES | C[C@@H]1C=C(C(=O)[C@]2([C@H]1CC3[C@@]4([C@@H]2[C@@H]([C@H]([C@@]([C@@]4(CC(=O)O3)O)(C)O)OC)O)C)C)OC |
| InChIKey | WTMHOKZZJFYIGE-OMPXHVHJSA-N |
Product Overview
NIGAKILACTONE H (CAS 30248-06-7), with molecular formula C22H32O8 and molecular weight 424.21 g/mol. IUPAC: (1S,2S,6S,7S,13S,14R,15R,16S,17S)-13,14,16-trihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione.
Chemical Property Profile of NIGAKILACTONE H
Property Insights of NIGAKILACTONE H
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NIGAKILACTONE H. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NIGAKILACTONE H. Following Lipinski's Rule of Five, NIGAKILACTONE H 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 NIGAKILACTONE H?
The CAS number of NIGAKILACTONE H is 30248-06-7.
What is the molecular formula of NIGAKILACTONE H?
The molecular formula of NIGAKILACTONE H is C22H32O8.
What is the molecular weight of NIGAKILACTONE H?
The molecular weight of NIGAKILACTONE H is 424.21 g/mol.
Where can I buy NIGAKILACTONE H?
You can request a quote for NIGAKILACTONE H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NIGAKILACTONE H?
Yes, KEHONG BIO provides custom synthesis services for NIGAKILACTONE H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.