甲氯西泮
TL;DR: 甲氯西泮 (CAS 58662-84-3) is a chemical compound with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氯西泮
(3S)-5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: Meclonazepam, Meclonazepamum, Cefazaflur, Meclonazepam [INN], 3-Methylclonazepam
| Molecular Formula | C16H12ClN3O3 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 3.4262 |
| Topological Polar Surface Area | 84.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.05673 |
| Heavy Atoms | 23 |
| Complexity | 848.2142 |
Chemical Identifiers
| CAS Number | 58662-84-3 |
|---|---|
| SMILES | C[C@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl |
Product Overview
甲氯西泮 (CAS 58662-84-3), with molecular formula C16H12ClN3O3 and molecular weight 329.06 g/mol. IUPAC: (3S)-5-(2-chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 甲氯西泮
Property Insights of 甲氯西泮
The XLogP value of 3.4262 indicates that 甲氯西泮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲氯西泮. Following Lipinski's Rule of Five, 甲氯西泮 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 甲氯西泮?
The CAS number of 甲氯西泮 is 58662-84-3.
What is the molecular formula of 甲氯西泮?
The molecular formula of 甲氯西泮 is C16H12ClN3O3.
What is the molecular weight of 甲氯西泮?
The molecular weight of 甲氯西泮 is 329.06 g/mol.
Where can I buy 甲氯西泮?
You can request a quote for 甲氯西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氯西泮?
Yes, KEHONG BIO provides custom synthesis services for 甲氯西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.