Nerisopam
TL;DR: Nerisopam (CAS 102771-12-0) is a chemical compound with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline
Also Known As: Nerisopam, Nerisopam [INN], nerisopamum, Gyki 52322, GYKI 52 322
| Molecular Formula | C18H19N3O2 |
|---|---|
| Molecular Weight | 309.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.14774 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 102771-12-0 |
|---|---|
| SMILES | CC1=NN=C(C2=CC(=C(C=C2C1)OC)OC)C3=CC=C(C=C3)N |
| InChIKey | WWQDEXGFYVSTCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nerisopam (CAS 102771-12-0), with molecular formula C18H19N3O2 and molecular weight 309.15 g/mol. IUPAC: 4-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)aniline.
Chemical Property Profile of Nerisopam
Property Insights of Nerisopam
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nerisopam. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nerisopam. Following Lipinski's Rule of Five, Nerisopam has 1 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 Nerisopam?
The CAS number of Nerisopam is 102771-12-0.
What is the molecular formula of Nerisopam?
The molecular formula of Nerisopam is C18H19N3O2.
What is the molecular weight of Nerisopam?
The molecular weight of Nerisopam is 309.15 g/mol.
Where can I buy Nerisopam?
You can request a quote for Nerisopam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nerisopam?
Yes, KEHONG BIO provides custom synthesis services for Nerisopam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.