ChemDiv1_013143
TL;DR: ChemDiv1_013143 (CAS 443354-36-7) is a chemical compound with molecular formula C30H27N5O5S and molecular weight 569.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate
Also Known As: ChemDiv1_013143, ethyl 4-[2-({3-[3-(1H-indol-3-yl)propanamido]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamido]benzoate, F0916-4605, ethyl 4-[[2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate, ethyl 4-({[(3-{[3-(1H-indol-3-yl)propanoyl]amino}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetyl}amino)benzoate
| Molecular Formula | C30H27N5O5S |
|---|---|
| Molecular Weight | 569.17 g/mol |
| LogP | 4.4882 |
| Topological Polar Surface Area | 135.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 569.1733 |
| Heavy Atoms | 41 |
| Complexity | 1795.2467 |
Chemical Identifiers
| CAS Number | 443354-36-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54 |
Product Overview
ChemDiv1_013143 (CAS 443354-36-7), with molecular formula C30H27N5O5S and molecular weight 569.17 g/mol. IUPAC: ethyl 4-[[2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_013143
Property Insights of ChemDiv1_013143
The XLogP value of 4.4882 indicates that ChemDiv1_013143 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013143. Following Lipinski's Rule of Five, ChemDiv1_013143 has 3 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_013143?
The CAS number of ChemDiv1_013143 is 443354-36-7.
What is the molecular formula of ChemDiv1_013143?
The molecular formula of ChemDiv1_013143 is C30H27N5O5S.
What is the molecular weight of ChemDiv1_013143?
The molecular weight of ChemDiv1_013143 is 569.17 g/mol.
Where can I buy ChemDiv1_013143?
You can request a quote for ChemDiv1_013143 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013143?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013143 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.