ChemDiv1_013186
TL;DR: ChemDiv1_013186 (CAS 451464-87-2) is a chemical compound with molecular formula C28H27ClN4O4S and molecular weight 550.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-4-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
Also Known As: ChemDiv1_013186, F0916-5060, N-[(3-chlorophenyl)methyl]-4-[2-({[(3-methoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]butanamide, N-(3-chlorobenzyl)-4-(2-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)butanamide, N-[(3-chlorophenyl)methyl]-4-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
| Molecular Formula | C28H27ClN4O4S |
|---|---|
| Molecular Weight | 550.14 g/mol |
| LogP | 4.8859 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 550.14417 |
| Heavy Atoms | 38 |
| Complexity | 1507.9667 |
Chemical Identifiers
| CAS Number | 451464-87-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl |
Product Overview
ChemDiv1_013186 (CAS 451464-87-2), with molecular formula C28H27ClN4O4S and molecular weight 550.14 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-4-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide.
Chemical Property Profile of ChemDiv1_013186
Property Insights of ChemDiv1_013186
The XLogP value of 4.8859 indicates that ChemDiv1_013186 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013186. Following Lipinski's Rule of Five, ChemDiv1_013186 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013186?
The CAS number of ChemDiv1_013186 is 451464-87-2.
What is the molecular formula of ChemDiv1_013186?
The molecular formula of ChemDiv1_013186 is C28H27ClN4O4S.
What is the molecular weight of ChemDiv1_013186?
The molecular weight of ChemDiv1_013186 is 550.14 g/mol.
Where can I buy ChemDiv1_013186?
You can request a quote for ChemDiv1_013186 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013186?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013186 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.