Gelsemine, 1-methoxy-
TL;DR: Gelsemine, 1-methoxy- (CAS 38990-03-3) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
Also Known As: Gelsevirine, 1-Methoxygelsemine, Gelsemine, 1-methoxy-, Alkaloid A, from Gelsemium sempervirens, B0005-179930
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 38990-03-3 |
|---|---|
| SMILES | CN1CC2(C3CC4C5(C2C1C3CO4)C6=CC=CC=C6N(C5=O)OC)C=C |
| InChIKey | SSSCMFCWHWCCEH-UHFFFAOYSA-N |
Product Overview
Gelsemine, 1-methoxy- (CAS 38990-03-3), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: 2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one.
Chemical Property Profile of Gelsemine, 1-methoxy-
Property Insights of Gelsemine, 1-methoxy-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gelsemine, 1-methoxy-. With a topological polar surface area (TPSA) of 42.0 Ų, Gelsemine, 1-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gelsemine, 1-methoxy- has 0 hydrogen bond donor(s) and 4 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 Gelsemine, 1-methoxy-?
The CAS number of Gelsemine, 1-methoxy- is 38990-03-3.
What is the molecular formula of Gelsemine, 1-methoxy-?
The molecular formula of Gelsemine, 1-methoxy- is C21H24N2O3.
What is the molecular weight of Gelsemine, 1-methoxy-?
The molecular weight of Gelsemine, 1-methoxy- is 352.18 g/mol.
Where can I buy Gelsemine, 1-methoxy-?
You can request a quote for Gelsemine, 1-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gelsemine, 1-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Gelsemine, 1-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.