![8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine structure](/static/products/968/96830-40-9.png)
8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine
TL;DR: 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine (CAS 96830-40-9) is a chemical compound with molecular formula C15H13ClN4O2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine
Also Known As: 8-chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine, 8-chloro-4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine, AH-262/34870013, 8-chloro-4-morpholinobenzo[f]pyrimido[4,5-b][1,4]oxazepine, 8-chloro-4-(morpholin-4-yl)pyrimido[4,5-b][1,4]benzoxazepine
| Molecular Formula | C15H13ClN4O2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0727 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 96830-40-9 |
|---|---|
| SMILES | C1COCCN1C2=C3C(=NC=N2)OC4=C(C=C(C=C4)Cl)C=N3 |
| InChIKey | HULDEQIBEVXFQD-UHFFFAOYSA-N |
Product Overview
8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine (CAS 96830-40-9), with molecular formula C15H13ClN4O2 and molecular weight 316.07 g/mol. IUPAC: 8-chloro-4-morpholin-4-ylpyrimido[4,5-b][1,4]benzoxazepine.
Chemical Property Profile of 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine
Property Insights of 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine. With a topological polar surface area (TPSA) of 59.8 Ų, 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine has 0 hydrogen bond donor(s) and 6 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 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine?
The CAS number of 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine is 96830-40-9.
What is the molecular formula of 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine?
The molecular formula of 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine is C15H13ClN4O2.
What is the molecular weight of 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine?
The molecular weight of 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine is 316.07 g/mol.
Where can I buy 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine?
You can request a quote for 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 8-Chloro-4-(4-morpholinyl)pyrimido[4,5-b][1,4]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.