![N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine structure](/static/products/968/96830-38-5.png)
N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine
TL;DR: N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine (CAS 96830-38-5) is a chemical compound with molecular formula C18H13ClN4O and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine
Also Known As: N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine, N-benzyl-8-chlorobenzo[f]pyrimido[4,5-b][1,4]oxazepin-4-amine, Benzyl-(8-chloro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-amine
| Molecular Formula | C18H13ClN4O |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 4.5984 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0778 |
| Heavy Atoms | 24 |
| Complexity | 912.1473 |
Chemical Identifiers
| CAS Number | 96830-38-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C3C(=NC=N2)OC4=C(C=C(C=C4)Cl)C=N3 |
Product Overview
N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine (CAS 96830-38-5), with molecular formula C18H13ClN4O and molecular weight 336.08 g/mol. IUPAC: N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine.
Chemical Property Profile of N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine
Property Insights of N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine
The XLogP value of 4.5984 indicates that N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine 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 N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine?
The CAS number of N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine is 96830-38-5.
What is the molecular formula of N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine?
The molecular formula of N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine is C18H13ClN4O.
What is the molecular weight of N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine?
The molecular weight of N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine is 336.08 g/mol.
Where can I buy N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine?
You can request a quote for N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-8-chloropyrimido[4,5-b][1,4]benzoxazepin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.