EINECS 229-277-8
TL;DR: EINECS 229-277-8 (CAS 64610-52-2) is a chemical compound with molecular formula C15H16ClN5O3 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-chloro-7-nitropyridazino[4,5-b][1,4]benzoxazin-10-yl)-N,N-dimethylpropan-1-amine
Also Known As: EINECS 229-277-8, 10H-Pyridazino(4,5-b)(1,4)benzoxazine, 1-chloro-10-(3-(dimethylamino)propyl)-7-nitro-, 1-Chloro-10-(3-(dimethylamino)propyl)-7-nitro-10H-pyridazino(4,5-b)(1,4)benzoxazine, 3-(1-chloro-7-nitropyridazino[4,5-b][1,4]benzoxazin-10-yl)-N,N-dimethylpropan-1-amine, 10H-Pyridazino(4,5-b)(1,4)benzoxazine-10-propanamine, 1-chloro-N,N-dimethyl-7-nitro- (10CI)
| Molecular Formula | C15H16ClN5O3 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 3.2337 |
| Topological Polar Surface Area | 84.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.09418 |
| Heavy Atoms | 24 |
| Complexity | 783.7 |
Chemical Identifiers
| CAS Number | 64610-52-2 |
|---|---|
| SMILES | CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC3=CN=NC(=C31)Cl |
Product Overview
EINECS 229-277-8 (CAS 64610-52-2), with molecular formula C15H16ClN5O3 and molecular weight 349.09 g/mol. IUPAC: 3-(1-chloro-7-nitropyridazino[4,5-b][1,4]benzoxazin-10-yl)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of EINECS 229-277-8
Property Insights of EINECS 229-277-8
The XLogP value of 3.2337 indicates that EINECS 229-277-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.63 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 229-277-8. Following Lipinski's Rule of Five, EINECS 229-277-8 has 0 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 EINECS 229-277-8?
The CAS number of EINECS 229-277-8 is 64610-52-2.
What is the molecular formula of EINECS 229-277-8?
The molecular formula of EINECS 229-277-8 is C15H16ClN5O3.
What is the molecular weight of EINECS 229-277-8?
The molecular weight of EINECS 229-277-8 is 349.09 g/mol.
Where can I buy EINECS 229-277-8?
You can request a quote for EINECS 229-277-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-277-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-277-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.