19,20-(E)-Vallesamine
TL;DR: 19,20-(E)-Vallesamine (CAS 3368-87-4) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
Also Known As: Vallesamine, 19,20-(E)-Vallesamine, methyl (12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.0^{3,11.0^{4,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate, methyl 14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 3368-87-4 |
|---|---|
| SMILES | CC=C1CN2CCC1C(C3=C(C2)C4=CC=CC=C4N3)(CO)C(=O)OC |
| InChIKey | JZKSIYFJGCTTET-UHFFFAOYSA-N |
Product Overview
19,20-(E)-Vallesamine (CAS 3368-87-4), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: methyl 14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraene-12-carboxylate.
Chemical Property Profile of 19,20-(E)-Vallesamine
Property Insights of 19,20-(E)-Vallesamine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 19,20-(E)-Vallesamine. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 19,20-(E)-Vallesamine. Following Lipinski's Rule of Five, 19,20-(E)-Vallesamine has 2 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 19,20-(E)-Vallesamine?
The CAS number of 19,20-(E)-Vallesamine is 3368-87-4.
What is the molecular formula of 19,20-(E)-Vallesamine?
The molecular formula of 19,20-(E)-Vallesamine is C20H24N2O3.
What is the molecular weight of 19,20-(E)-Vallesamine?
The molecular weight of 19,20-(E)-Vallesamine is 340.18 g/mol.
Where can I buy 19,20-(E)-Vallesamine?
You can request a quote for 19,20-(E)-Vallesamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19,20-(E)-Vallesamine?
Yes, KEHONG BIO provides custom synthesis services for 19,20-(E)-Vallesamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.