F0916-5057
TL;DR: F0916-5057 (CAS 451464-85-0) is a chemical compound with molecular formula C29H29ClN4O4S and molecular weight 564.16 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-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
Also Known As: F0916-5057, N-[(3-chlorophenyl)methyl]-4-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3,4-dihydroquinazolin-3-yl]butanamide, N-(3-chlorobenzyl)-4-(2-((2-((4-ethoxyphenyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)butanamide, N-[(3-chlorophenyl)methyl]-4-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide
| Molecular Formula | C29H29ClN4O4S |
|---|---|
| Molecular Weight | 564.16 g/mol |
| LogP | 5.276 |
| Topological Polar Surface Area | 102.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 564.1598 |
| Heavy Atoms | 39 |
| Complexity | 1507.6923 |
Chemical Identifiers
| CAS Number | 451464-85-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC(=CC=C4)Cl |
Product Overview
F0916-5057 (CAS 451464-85-0), with molecular formula C29H29ClN4O4S and molecular weight 564.16 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-4-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide.
Chemical Property Profile of F0916-5057
Property Insights of F0916-5057
The XLogP value of 5.276 indicates that F0916-5057 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 F0916-5057. Following Lipinski's Rule of Five, F0916-5057 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 F0916-5057?
The CAS number of F0916-5057 is 451464-85-0.
What is the molecular formula of F0916-5057?
The molecular formula of F0916-5057 is C29H29ClN4O4S.
What is the molecular weight of F0916-5057?
The molecular weight of F0916-5057 is 564.16 g/mol.
Where can I buy F0916-5057?
You can request a quote for F0916-5057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0916-5057?
Yes, KEHONG BIO provides custom synthesis services for F0916-5057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.