Neoporrigenin A
TL;DR: Neoporrigenin A (CAS 196607-76-8) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol
Also Known As: Neoporrigenin A, (-)-Neoporrigenin A, Porrigenin A, Spirostan-2,3,6-triol, (2beta,3beta,5alpha,6beta,25S)-, (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-15,16,19-triol
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 196607-76-8 |
|---|---|
| SMILES | C[C@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H]([C@@H]6[C@@]5(C[C@@H]([C@@H](C6)O)O)C)O)C)C)OC1 |
| InChIKey | FYRLHXNMINIDCB-HATXAQBQSA-N |
Product Overview
Neoporrigenin A (CAS 196607-76-8), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (1R,2S,4S,5'S,7S,8R,9S,12S,13R,15S,16R,18S,19R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16,19-triol.
Chemical Property Profile of Neoporrigenin A
Property Insights of Neoporrigenin A
The XLogP value of 4.2 indicates that Neoporrigenin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Neoporrigenin A. Following Lipinski's Rule of Five, Neoporrigenin A has 3 hydrogen bond donor(s) and 5 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 Neoporrigenin A?
The CAS number of Neoporrigenin A is 196607-76-8.
What is the molecular formula of Neoporrigenin A?
The molecular formula of Neoporrigenin A is C27H44O5.
What is the molecular weight of Neoporrigenin A?
The molecular weight of Neoporrigenin A is 448.32 g/mol.
Where can I buy Neoporrigenin A?
You can request a quote for Neoporrigenin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoporrigenin A?
Yes, KEHONG BIO provides custom synthesis services for Neoporrigenin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.