ChemDiv1_013104
TL;DR: ChemDiv1_013104 (CAS 451465-27-3) is a chemical compound with molecular formula C29H32N4O6S and molecular weight 564.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(furan-2-ylmethyl)butanamide
Also Known As: ChemDiv1_013104, 4-{2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3,4-dihydroquinazolin-3-yl}-N-[(furan-2-yl)methyl]butanamide, F0916-5152, 4-(2-((2-((3,4-dimethoxyphenethyl)amino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(furan-2-ylmethyl)butanamide, 4-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(furan-2-ylmethyl)butanamide
| Molecular Formula | C29H32N4O6S |
|---|---|
| Molecular Weight | 564.20 g/mol |
| LogP | 3.5543 |
| Topological Polar Surface Area | 124.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 564.2043 |
| Heavy Atoms | 40 |
| Complexity | 1502.4391 |
Chemical Identifiers
| CAS Number | 451465-27-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4)OC |
Product Overview
ChemDiv1_013104 (CAS 451465-27-3), with molecular formula C29H32N4O6S and molecular weight 564.20 g/mol. IUPAC: 4-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-(furan-2-ylmethyl)butanamide.
Chemical Property Profile of ChemDiv1_013104
Property Insights of ChemDiv1_013104
The XLogP value of 3.5543 indicates that ChemDiv1_013104 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013104. Following Lipinski's Rule of Five, ChemDiv1_013104 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013104?
The CAS number of ChemDiv1_013104 is 451465-27-3.
What is the molecular formula of ChemDiv1_013104?
The molecular formula of ChemDiv1_013104 is C29H32N4O6S.
What is the molecular weight of ChemDiv1_013104?
The molecular weight of ChemDiv1_013104 is 564.20 g/mol.
Where can I buy ChemDiv1_013104?
You can request a quote for ChemDiv1_013104 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013104?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013104 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.