N-Desmethylmetaclazepam
TL;DR: N-Desmethylmetaclazepam (CAS 86298-26-2) is a chemical compound with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]naphthalen-1-one
Also Known As: N-Desmethylmetaclazepam, KC 3755, NCI60_017341, 1(4h)-naphthalenone, 2-[(3,4-dimethyl-5-isoxazolyl)amino]-4-[(3,4-dimethyl-5-isoxazolyl)imino]-, 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]naphthalen-1-one
| Molecular Formula | C20H18N4O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.13788 |
| Heavy Atoms | 27 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 86298-26-2 |
|---|---|
| SMILES | CC1=C(ON=C1C)NC2=CC(=NC3=C(C(=NO3)C)C)C4=CC=CC=C4C2=O |
| InChIKey | YOVXBSRIHBCXAV-UHFFFAOYSA-N |
Product Overview
N-Desmethylmetaclazepam (CAS 86298-26-2), with molecular formula C20H18N4O3 and molecular weight 362.14 g/mol. IUPAC: 2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-4-[(3,4-dimethyl-1,2-oxazol-5-yl)imino]naphthalen-1-one.
Chemical Property Profile of N-Desmethylmetaclazepam
Property Insights of N-Desmethylmetaclazepam
The XLogP value of 4.1 indicates that N-Desmethylmetaclazepam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethylmetaclazepam. Following Lipinski's Rule of Five, N-Desmethylmetaclazepam has 1 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-Desmethylmetaclazepam?
The CAS number of N-Desmethylmetaclazepam is 86298-26-2.
What is the molecular formula of N-Desmethylmetaclazepam?
The molecular formula of N-Desmethylmetaclazepam is C20H18N4O3.
What is the molecular weight of N-Desmethylmetaclazepam?
The molecular weight of N-Desmethylmetaclazepam is 362.14 g/mol.
Where can I buy N-Desmethylmetaclazepam?
You can request a quote for N-Desmethylmetaclazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethylmetaclazepam?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethylmetaclazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.