Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate
TL;DR: Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate (CAS 664-25-5) is a chemical compound with molecular formula C22H26N2O3 and molecular weight 366.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
Also Known As: Voachalotine, MEGxp0_001807, ACon0_000899, ACon1_002344, EINECS 211-556-0
| Molecular Formula | C22H26N2O3 |
|---|---|
| Molecular Weight | 366.19 g/mol |
| LogP | 2.5776 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.19434 |
| Heavy Atoms | 27 |
| Complexity | 975.3384 |
Chemical Identifiers
| CAS Number | 664-25-5 |
|---|---|
| SMILES | C/C=C\1/CN2C3CC1C(C2CC4=C3N(C5=CC=CC=C45)C)(CO)C(=O)OC |
Product Overview
Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate (CAS 664-25-5), with molecular formula C22H26N2O3 and molecular weight 366.19 g/mol. IUPAC: methyl (15E)-15-ethylidene-13-(hydroxymethyl)-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate.
Chemical Property Profile of Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate
Property Insights of Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate
The XLogP value of 2.5776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate. With a topological polar surface area (TPSA) of 54.7 Ų, Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate has 1 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 Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate?
The CAS number of Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate is 664-25-5.
What is the molecular formula of Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate?
The molecular formula of Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate is C22H26N2O3.
What is the molecular weight of Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate?
The molecular weight of Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate is 366.19 g/mol.
Where can I buy Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate?
You can request a quote for Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.