ChemDiv1_013513
TL;DR: ChemDiv1_013513 (CAS 422286-87-1) is a chemical compound with molecular formula C30H32N4O5S and molecular weight 560.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
Also Known As: ChemDiv1_013513, 3-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide, F3407-3896, 3-(2-((2-(benzylamino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-N-(3,4-dimethoxyphenethyl)propanamide, 3-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
| Molecular Formula | C30H32N4O5S |
|---|---|
| Molecular Weight | 560.21 g/mol |
| LogP | 3.5712 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 560.20935 |
| Heavy Atoms | 40 |
| Complexity | 1524.0707 |
Chemical Identifiers
| CAS Number | 422286-87-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CC=C4)OC |
Product Overview
ChemDiv1_013513 (CAS 422286-87-1), with molecular formula C30H32N4O5S and molecular weight 560.21 g/mol. IUPAC: 3-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
Chemical Property Profile of ChemDiv1_013513
Property Insights of ChemDiv1_013513
The XLogP value of 3.5712 indicates that ChemDiv1_013513 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013513. Following Lipinski's Rule of Five, ChemDiv1_013513 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013513?
The CAS number of ChemDiv1_013513 is 422286-87-1.
What is the molecular formula of ChemDiv1_013513?
The molecular formula of ChemDiv1_013513 is C30H32N4O5S.
What is the molecular weight of ChemDiv1_013513?
The molecular weight of ChemDiv1_013513 is 560.21 g/mol.
Where can I buy ChemDiv1_013513?
You can request a quote for ChemDiv1_013513 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013513?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013513 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.