Dehydroguattescine
TL;DR: Dehydroguattescine (CAS 96997-99-8) is a chemical compound with molecular formula C19H15NO4 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13R)-16-methoxy-13-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-ol
Also Known As: Dehydroguattescine, 3-(3-Hydroxyphenyl)-5-((methylmercapto)methyl)-N-n-propylpiperidine, (8R)-10-Methoxy-8-methyl-2H,8H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-ol, 8H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 10-methoxy-8-methyl-, (R)-
| Molecular Formula | C19H15NO4 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.1001 |
| Heavy Atoms | 24 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 96997-99-8 |
|---|---|
| SMILES | C[C@]1(C2=C(C=CC(=C2)OC)C3=C4C1=NC=CC4=CC5=C3OCO5)O |
| InChIKey | JARCCJNNRWIWIE-LJQANCHMSA-N |
Product Overview
Dehydroguattescine (CAS 96997-99-8), with molecular formula C19H15NO4 and molecular weight 321.10 g/mol. IUPAC: (13R)-16-methoxy-13-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-ol.
Chemical Property Profile of Dehydroguattescine
Property Insights of Dehydroguattescine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroguattescine. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroguattescine. Following Lipinski's Rule of Five, Dehydroguattescine 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 Dehydroguattescine?
The CAS number of Dehydroguattescine is 96997-99-8.
What is the molecular formula of Dehydroguattescine?
The molecular formula of Dehydroguattescine is C19H15NO4.
What is the molecular weight of Dehydroguattescine?
The molecular weight of Dehydroguattescine is 321.10 g/mol.
Where can I buy Dehydroguattescine?
You can request a quote for Dehydroguattescine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroguattescine?
Yes, KEHONG BIO provides custom synthesis services for Dehydroguattescine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.