RefChem:235986
TL;DR: RefChem:235986 (CAS 64610-67-9) is a chemical compound with molecular formula C16H18ClN5O and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-10-methyl-1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazine
Also Known As: EINECS 229-277-8, 10H-Pyridazino(4,5-b)(1,4)benzoxazine, 7-chloro-10-methyl-1-(4-methyl-1-piperazinyl)-, 1-(4-Methylpiperazinyl-1)-7-chloro-10-methyl-2,3-diazophenoxazine, 7-chloro-10-methyl-1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazine, 7-Chloro-10-methyl-1-(4-methyl-1-piperazinyl)-10H-pyridazino(4,5-b)(1,4)benzoxazine
| Molecular Formula | C16H18ClN5O |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.7554 |
| Topological Polar Surface Area | 44.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.12 |
| Heavy Atoms | 23 |
| Complexity | 745.2456 |
Chemical Identifiers
| CAS Number | 64610-67-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C3C(=CN=N2)OC4=C(N3C)C=CC(=C4)Cl |
Product Overview
RefChem:235986 (CAS 64610-67-9), with molecular formula C16H18ClN5O and molecular weight 331.12 g/mol. IUPAC: 7-chloro-10-methyl-1-(4-methylpiperazin-1-yl)pyridazino[4,5-b][1,4]benzoxazine.
Chemical Property Profile of RefChem:235986
Property Insights of RefChem:235986
The XLogP value of 2.7554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:235986. With a topological polar surface area (TPSA) of 44.73 Ų, RefChem:235986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:235986 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 RefChem:235986?
The CAS number of RefChem:235986 is 64610-67-9.
What is the molecular formula of RefChem:235986?
The molecular formula of RefChem:235986 is C16H18ClN5O.
What is the molecular weight of RefChem:235986?
The molecular weight of RefChem:235986 is 331.12 g/mol.
Where can I buy RefChem:235986?
You can request a quote for RefChem:235986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:235986?
Yes, KEHONG BIO provides custom synthesis services for RefChem:235986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.