1-Carboxymethyl-phthalazon-(4)
TL;DR: 1-Carboxymethyl-phthalazon-(4) (CAS 199852-06-7) is a chemical compound with molecular formula C16H23ClN4O2 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(diethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide;hydrochloride
Also Known As: 1-Carboxymethyl-phthalazon-(4), beta-Diethylaminoethylamidephthalazon-4-yl-1-acetic acid, hydrochloride, N-[2-(diethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide;hydrochloride, N-(2-(diethylamino)ethyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide hydrochloride, 1-Phthalazineacetamide, 3,4-dihydro-N-(2-(diethylamino)ethyl)-4-oxo, hydrochloride
| Molecular Formula | C16H23ClN4O2 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 1.3454 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.15094 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 199852-06-7 |
|---|---|
| SMILES | CCN(CC)CCNC(=O)CC1=NNC(=O)C2=CC=CC=C21.Cl |
| InChIKey | AFPWSNNSYVXWBF-UHFFFAOYSA-N |
Product Overview
1-Carboxymethyl-phthalazon-(4) (CAS 199852-06-7), with molecular formula C16H23ClN4O2 and molecular weight 338.15 g/mol. IUPAC: N-[2-(diethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide;hydrochloride.
Chemical Property Profile of 1-Carboxymethyl-phthalazon-(4)
Property Insights of 1-Carboxymethyl-phthalazon-(4)
The XLogP value of 1.3454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Carboxymethyl-phthalazon-(4). The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Carboxymethyl-phthalazon-(4). Following Lipinski's Rule of Five, 1-Carboxymethyl-phthalazon-(4) has 3 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 1-Carboxymethyl-phthalazon-(4)?
The CAS number of 1-Carboxymethyl-phthalazon-(4) is 199852-06-7.
What is the molecular formula of 1-Carboxymethyl-phthalazon-(4)?
The molecular formula of 1-Carboxymethyl-phthalazon-(4) is C16H23ClN4O2.
What is the molecular weight of 1-Carboxymethyl-phthalazon-(4)?
The molecular weight of 1-Carboxymethyl-phthalazon-(4) is 338.15 g/mol.
Where can I buy 1-Carboxymethyl-phthalazon-(4)?
You can request a quote for 1-Carboxymethyl-phthalazon-(4) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Carboxymethyl-phthalazon-(4)?
Yes, KEHONG BIO provides custom synthesis services for 1-Carboxymethyl-phthalazon-(4) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.