![4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one structure](/static/products/161/161328-17-2.png)
4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one
TL;DR: 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one (CAS 161328-17-2) is a chemical compound with molecular formula C10H10ClN3O2 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-5a,7,8,9,9a,10-hexahydropyrimido[5,4-b][1,4]benzoxazin-6-one
Also Known As: 4-chloro-5a,7,8,9,9a,10-hexahydropyrimido[5,4-b][1,4]benzoxazin-6-one, 4-chloro-8,9,9a,10-tetrahydro-5aH-benzo[b]pyrimido[4,5-e][1,4]oxazin-6(7H)-one, 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one
| Molecular Formula | C10H10ClN3O2 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 1.4245 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.04616 |
| Heavy Atoms | 16 |
| Complexity | 451.69034 |
Chemical Identifiers
| CAS Number | 161328-17-2 |
|---|---|
| SMILES | C1CC2C(C(=O)C1)OC3=C(N2)N=CN=C3Cl |
Product Overview
4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one (CAS 161328-17-2), with molecular formula C10H10ClN3O2 and molecular weight 239.05 g/mol. IUPAC: 4-chloro-5a,7,8,9,9a,10-hexahydropyrimido[5,4-b][1,4]benzoxazin-6-one.
Chemical Property Profile of 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one
Property Insights of 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one
The XLogP value of 1.4245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one. Following Lipinski's Rule of Five, 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one 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 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one?
The CAS number of 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one is 161328-17-2.
What is the molecular formula of 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one?
The molecular formula of 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one is C10H10ClN3O2.
What is the molecular weight of 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one?
The molecular weight of 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one is 239.05 g/mol.
Where can I buy 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one?
You can request a quote for 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-8,9,9a,10-tetrahydro-5aH-pyrimido[5,4-b][1,4]benzoxazin-6(7H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.