1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid
TL;DR: 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid (CAS 72407-42-2) is a chemical compound with molecular formula C21H26N4O2 and molecular weight 366.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,15S,16S,20S)-3,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carbohydrazide
Also Known As: N(sub 1)-Methyltetrahydroalstonique acide hydrazide [French], N(sub 1)-Methyltetrahydroalstonique acide hydrazide, N(sub 1)-Methylraubasinique acide hydrazide [French], 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid, Oxayohimban-16-carboxylic acid, 16,17-didehydro-1,19-dimethyl-, hydrazide, (19-alpha,20-alpha)-
| Molecular Formula | C21H26N4O2 |
|---|---|
| Molecular Weight | 366.21 g/mol |
| LogP | 2.0061 |
| Topological Polar Surface Area | 72.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 366.20557 |
| Heavy Atoms | 27 |
| Complexity | 947.04987 |
Chemical Identifiers
| CAS Number | 72407-42-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)NN)N(C5=CC=CC=C45)C |
Product Overview
1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid (CAS 72407-42-2), with molecular formula C21H26N4O2 and molecular weight 366.21 g/mol. IUPAC: (1S,15S,16S,20S)-3,16-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carbohydrazide.
Chemical Property Profile of 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid
Property Insights of 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid
The XLogP value of 2.0061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid. The TPSA of 72.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid. Following Lipinski's Rule of Five, 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid 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 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid?
The CAS number of 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid is 72407-42-2.
What is the molecular formula of 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid?
The molecular formula of 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid is C21H26N4O2.
What is the molecular weight of 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid?
The molecular weight of 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid is 366.21 g/mol.
Where can I buy 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid?
You can request a quote for 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,19-Dimethyl-16,17-didehydro-18-oxayohimban-16-carbohydrazonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.