RefChem:233312
TL;DR: RefChem:233312 (CAS 101976-09-4) is a chemical compound with molecular formula C19H27ClN4O2 and molecular weight 378.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(azepan-1-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide;hydrochloride
Also Known As: 1-Phthalazineacetamide, 3,4-dihydro-N-(3-(1H-hexahydroazepin-1-yl)propyl)-4-oxo-, hydrochloride, gamma-Hexamethyleniminopropylamidephthalazon-4-yl-1-acetic acid, hydrochloride, N-[3-(azepan-1-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide;hydrochloride, N-[3-(azepan-1-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide hydrochloride, N-[3-(Azepan-1-yl)propyl]-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide--hydrogen chloride (1/1)
| Molecular Formula | C19H27ClN4O2 |
|---|---|
| Molecular Weight | 378.18 g/mol |
| LogP | 2.2697 |
| Topological Polar Surface Area | 78.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.18225 |
| Heavy Atoms | 26 |
| Complexity | 769.4683 |
Chemical Identifiers
| CAS Number | 101976-09-4 |
|---|---|
| SMILES | C1CCCN(CC1)CCCNC(=O)CC2=NNC(=O)C3=CC=CC=C32.Cl |
Product Overview
RefChem:233312 (CAS 101976-09-4), with molecular formula C19H27ClN4O2 and molecular weight 378.18 g/mol. IUPAC: N-[3-(azepan-1-yl)propyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide;hydrochloride.
Chemical Property Profile of RefChem:233312
Property Insights of RefChem:233312
The XLogP value of 2.2697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:233312. The TPSA of 78.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:233312. Following Lipinski's Rule of Five, RefChem:233312 has 2 hydrogen bond donor(s) and 4 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:233312?
The CAS number of RefChem:233312 is 101976-09-4.
What is the molecular formula of RefChem:233312?
The molecular formula of RefChem:233312 is C19H27ClN4O2.
What is the molecular weight of RefChem:233312?
The molecular weight of RefChem:233312 is 378.18 g/mol.
Where can I buy RefChem:233312?
You can request a quote for RefChem:233312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:233312?
Yes, KEHONG BIO provides custom synthesis services for RefChem:233312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.