(S)-Nandigerine
TL;DR: (S)-Nandigerine (CAS 31520-97-5) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol
Also Known As: (S)-Nandigerine, Hernangerine, Nandigerine, (+)-Nandigerine, 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 31520-97-5 |
|---|---|
| SMILES | COC1=C(C=CC2=C1C3=C4C(C2)NCCC4=CC5=C3OCO5)O |
| InChIKey | CFUKKPQRQGCLAT-UHFFFAOYSA-N |
Product Overview
(S)-Nandigerine (CAS 31520-97-5), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol.
Chemical Property Profile of (S)-Nandigerine
Property Insights of (S)-Nandigerine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Nandigerine. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Nandigerine. Following Lipinski's Rule of Five, (S)-Nandigerine has 2 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 (S)-Nandigerine?
The CAS number of (S)-Nandigerine is 31520-97-5.
What is the molecular formula of (S)-Nandigerine?
The molecular formula of (S)-Nandigerine is C18H17NO4.
What is the molecular weight of (S)-Nandigerine?
The molecular weight of (S)-Nandigerine is 311.12 g/mol.
Where can I buy (S)-Nandigerine?
You can request a quote for (S)-Nandigerine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Nandigerine?
Yes, KEHONG BIO provides custom synthesis services for (S)-Nandigerine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.