(20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester
TL;DR: (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester (CAS 5980-01-8) 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 12-ethyl-12-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
Also Known As: Lochneridin, Lochneridine, Methyl 20-hydroxy-2,16-didehydrocuran-17-oate #, (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester, Curan-17-oic acid, 2,16-didehydro-20-hydroxy-, methyl ester, (20.alpha.)-
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 5980-01-8 |
|---|---|
| SMILES | CCC1(CN2CCC34C2CC1C(=C3NC5=CC=CC=C45)C(=O)OC)O |
| InChIKey | DGKIJZKKTDPACC-UHFFFAOYSA-N |
Product Overview
(20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester (CAS 5980-01-8), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: methyl 12-ethyl-12-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate.
Chemical Property Profile of (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester
Property Insights of (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester. Following Lipinski's Rule of Five, (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester has 2 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 (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester?
The CAS number of (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester is 5980-01-8.
What is the molecular formula of (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester?
The molecular formula of (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester is C20H24N2O3.
What is the molecular weight of (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester?
The molecular weight of (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester is 340.18 g/mol.
Where can I buy (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester?
You can request a quote for (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for (20S)-2,16-Didehydro-20-hydroxycuran-17-oic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.