N-Desmethylidaverine
TL;DR: N-Desmethylidaverine (CAS 120627-70-5) is a chemical compound with molecular formula C23H37N3O3 and molecular weight 403.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N-methylpiperidine-4-carboxamide
Also Known As: N-Desmethylidaverine, DU 121403, 1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N-methylpiperidine-4-carboxamide, 1-(4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-oxobutyl)-N-methyl-4-piperidinecarboxamide, 1-(4-{Ethyl[1-(4-methoxyphenyl)propan-2-yl]amino}butanoyl)-N-methylpiperidine-4-carboximidic acid
| Molecular Formula | C23H37N3O3 |
|---|---|
| Molecular Weight | 403.28 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 403.28348 |
| Heavy Atoms | 29 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 120627-70-5 |
|---|---|
| SMILES | CCN(CCCC(=O)N1CCC(CC1)C(=O)NC)C(C)CC2=CC=C(C=C2)OC |
| InChIKey | LOIFKXRQHYPFMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethylidaverine (CAS 120627-70-5), with molecular formula C23H37N3O3 and molecular weight 403.28 g/mol. IUPAC: 1-[4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoyl]-N-methylpiperidine-4-carboxamide.
Chemical Property Profile of N-Desmethylidaverine
Property Insights of N-Desmethylidaverine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Desmethylidaverine. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethylidaverine. Following Lipinski's Rule of Five, N-Desmethylidaverine 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 N-Desmethylidaverine?
The CAS number of N-Desmethylidaverine is 120627-70-5.
What is the molecular formula of N-Desmethylidaverine?
The molecular formula of N-Desmethylidaverine is C23H37N3O3.
What is the molecular weight of N-Desmethylidaverine?
The molecular weight of N-Desmethylidaverine is 403.28 g/mol.
Where can I buy N-Desmethylidaverine?
You can request a quote for N-Desmethylidaverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethylidaverine?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethylidaverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.