N-Methyl hernangerin
TL;DR: N-Methyl hernangerin (CAS 5544-68-3) is a chemical compound with molecular formula C19H19NO4 and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S)-18-methoxy-11-methyl-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: N-Methylnandigerine, N-Methyl hernangerin, methoxy(methyl)[?]ol, (+)-N-Methylnandigerine, (12S)-18-Methoxy-11-methyl-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
| Molecular Formula | C19H19NO4 |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 325.1314 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 5544-68-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)O)OC)OCO3 |
| InChIKey | WOIZHRXESCUSGM-LBPRGKRZSA-N |
Product Overview
N-Methyl hernangerin (CAS 5544-68-3), with molecular formula C19H19NO4 and molecular weight 325.13 g/mol. IUPAC: (12S)-18-methoxy-11-methyl-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 N-Methyl hernangerin
Property Insights of N-Methyl hernangerin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl hernangerin. With a topological polar surface area (TPSA) of 51.2 Ų, N-Methyl hernangerin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl hernangerin has 1 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 N-Methyl hernangerin?
The CAS number of N-Methyl hernangerin is 5544-68-3.
What is the molecular formula of N-Methyl hernangerin?
The molecular formula of N-Methyl hernangerin is C19H19NO4.
What is the molecular weight of N-Methyl hernangerin?
The molecular weight of N-Methyl hernangerin is 325.13 g/mol.
Where can I buy N-Methyl hernangerin?
You can request a quote for N-Methyl hernangerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl hernangerin?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl hernangerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.