N-(propan-2-yl)benzenecarbonimidoyl chloride
TL;DR: N-(propan-2-yl)benzenecarbonimidoyl chloride (CAS 6620-80-0) is a chemical compound with molecular formula C22H26Cl2N4O3 and molecular weight 464.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dichloro-3-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]-2-hydroxypropyl]quinazolin-4-one
Also Known As: N-(propan-2-yl)benzenecarbonimidoyl chloride, 6,7-dichloro-3-(3-{3-[(diethylamino)methyl]-4-hydroxyanilino}-2-hydroxypropyl)-4(3H)-quinazolinone, 6,7-dichloro-3-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]-2-hydroxypropyl]quinazolin-4-one
| Molecular Formula | C22H26Cl2N4O3 |
|---|---|
| Molecular Weight | 464.14 g/mol |
| LogP | 3.7237 |
| Topological Polar Surface Area | 90.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.13818 |
| Heavy Atoms | 31 |
| Complexity | 1115.8417 |
Chemical Identifiers
| CAS Number | 6620-80-0 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC(=C1)NCC(CN2C=NC3=CC(=C(C=C3C2=O)Cl)Cl)O)O |
Product Overview
N-(propan-2-yl)benzenecarbonimidoyl chloride (CAS 6620-80-0), with molecular formula C22H26Cl2N4O3 and molecular weight 464.14 g/mol. IUPAC: 6,7-dichloro-3-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]-2-hydroxypropyl]quinazolin-4-one.
Chemical Property Profile of N-(propan-2-yl)benzenecarbonimidoyl chloride
Property Insights of N-(propan-2-yl)benzenecarbonimidoyl chloride
The XLogP value of 3.7237 indicates that N-(propan-2-yl)benzenecarbonimidoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(propan-2-yl)benzenecarbonimidoyl chloride. Following Lipinski's Rule of Five, N-(propan-2-yl)benzenecarbonimidoyl chloride has 3 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 N-(propan-2-yl)benzenecarbonimidoyl chloride?
The CAS number of N-(propan-2-yl)benzenecarbonimidoyl chloride is 6620-80-0.
What is the molecular formula of N-(propan-2-yl)benzenecarbonimidoyl chloride?
The molecular formula of N-(propan-2-yl)benzenecarbonimidoyl chloride is C22H26Cl2N4O3.
What is the molecular weight of N-(propan-2-yl)benzenecarbonimidoyl chloride?
The molecular weight of N-(propan-2-yl)benzenecarbonimidoyl chloride is 464.14 g/mol.
Where can I buy N-(propan-2-yl)benzenecarbonimidoyl chloride?
You can request a quote for N-(propan-2-yl)benzenecarbonimidoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(propan-2-yl)benzenecarbonimidoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for N-(propan-2-yl)benzenecarbonimidoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.