莫曲西泮
TL;DR: 莫曲西泮 (CAS 29442-58-8) is a chemical compound with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
莫曲西泮
1-(methoxymethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: Motrazepam, Motrazepamum, Motrazepam [INN], Motrazepamum [INN-Latin], 1,4-benzodiazepin-2-one
| Molecular Formula | C17H15N3O4 |
|---|---|
| Molecular Weight | 325.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.10626 |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 29442-58-8 |
|---|---|
| SMILES | COCN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | CWCAUFWLFIUQHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
莫曲西泮 (CAS 29442-58-8), with molecular formula C17H15N3O4 and molecular weight 325.11 g/mol. IUPAC: 1-(methoxymethyl)-7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 莫曲西泮
Property Insights of 莫曲西泮
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 莫曲西泮. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 莫曲西泮. Following Lipinski's Rule of Five, 莫曲西泮 has 0 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 莫曲西泮?
The CAS number of 莫曲西泮 is 29442-58-8.
What is the molecular formula of 莫曲西泮?
The molecular formula of 莫曲西泮 is C17H15N3O4.
What is the molecular weight of 莫曲西泮?
The molecular weight of 莫曲西泮 is 325.11 g/mol.
Where can I buy 莫曲西泮?
You can request a quote for 莫曲西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 莫曲西泮?
Yes, KEHONG BIO provides custom synthesis services for 莫曲西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.