N-desmethyladinazolam mesylate
TL;DR: N-desmethyladinazolam mesylate (CAS 111317-35-2) is a chemical compound with molecular formula C19H20ClN5O3S and molecular weight 433.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine;methanesulfonic acid
Also Known As: N-Desmethyladinazolam mesylate, 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine;methanesulfonic acid, 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine-1-methanamine, 8-chloro-N-methyl-6-phenyl-, monomethanesulfonate, 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine; methanesulfonic acid, Methanesulfonic acid--1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine (1/1)
| Molecular Formula | C19H20ClN5O3S |
|---|---|
| Molecular Weight | 433.10 g/mol |
| LogP | 2.4951 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 433.09753 |
| Heavy Atoms | 29 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 111317-35-2 |
|---|---|
| SMILES | CNCC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4.CS(=O)(=O)O |
| InChIKey | XBBBHTCBPLIACE-UHFFFAOYSA-N |
Product Overview
N-desmethyladinazolam mesylate (CAS 111317-35-2), with molecular formula C19H20ClN5O3S and molecular weight 433.10 g/mol. IUPAC: 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine;methanesulfonic acid.
Chemical Property Profile of N-desmethyladinazolam mesylate
Property Insights of N-desmethyladinazolam mesylate
The XLogP value of 2.4951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-desmethyladinazolam mesylate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-desmethyladinazolam mesylate. Following Lipinski's Rule of Five, N-desmethyladinazolam mesylate has 2 hydrogen bond donor(s) and 7 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-desmethyladinazolam mesylate?
The CAS number of N-desmethyladinazolam mesylate is 111317-35-2.
What is the molecular formula of N-desmethyladinazolam mesylate?
The molecular formula of N-desmethyladinazolam mesylate is C19H20ClN5O3S.
What is the molecular weight of N-desmethyladinazolam mesylate?
The molecular weight of N-desmethyladinazolam mesylate is 433.10 g/mol.
Where can I buy N-desmethyladinazolam mesylate?
You can request a quote for N-desmethyladinazolam mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-desmethyladinazolam mesylate?
Yes, KEHONG BIO provides custom synthesis services for N-desmethyladinazolam mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.