ChemDiv1_013231
TL;DR: ChemDiv1_013231 (CAS 443354-39-0) is a chemical compound with molecular formula C28H25N5O3S and molecular weight 511.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide
Also Known As: ChemDiv1_013231, F0916-4607, N-(2-{[(benzylcarbamoyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-3-(1H-indol-3-yl)propanamide, N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide, N-(2-((2-(benzylamino)-2-oxoethyl)thio)-4-oxoquinazolin-3(4H)-yl)-3-(1H-indol-3-yl)propanamide
| Molecular Formula | C28H25N5O3S |
|---|---|
| Molecular Weight | 511.17 g/mol |
| LogP | 3.9892 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.16782 |
| Heavy Atoms | 37 |
| Complexity | 1627.8419 |
Chemical Identifiers
| CAS Number | 443354-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv1_013231 (CAS 443354-39-0), with molecular formula C28H25N5O3S and molecular weight 511.17 g/mol. IUPAC: N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide.
Chemical Property Profile of ChemDiv1_013231
Property Insights of ChemDiv1_013231
The XLogP value of 3.9892 indicates that ChemDiv1_013231 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013231. Following Lipinski's Rule of Five, ChemDiv1_013231 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013231?
The CAS number of ChemDiv1_013231 is 443354-39-0.
What is the molecular formula of ChemDiv1_013231?
The molecular formula of ChemDiv1_013231 is C28H25N5O3S.
What is the molecular weight of ChemDiv1_013231?
The molecular weight of ChemDiv1_013231 is 511.17 g/mol.
Where can I buy ChemDiv1_013231?
You can request a quote for ChemDiv1_013231 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013231?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013231 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.