ChemDiv3_012724
TL;DR: ChemDiv3_012724 (CAS 688355-94-4) is a chemical compound with molecular formula C23H16ClN3O3S and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone
Also Known As: ChemDiv3_012724, 2-({4-[(2H-1,3-benzodioxol-5-yl)amino]quinazolin-2-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one, BRD-K87468359-001-01-5, F6548-4646, 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone
| Molecular Formula | C23H16ClN3O3S |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 5.7305 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0601 |
| Heavy Atoms | 31 |
| Complexity | 1281.0514 |
Chemical Identifiers
| CAS Number | 688355-94-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv3_012724 (CAS 688355-94-4), with molecular formula C23H16ClN3O3S and molecular weight 449.06 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylamino)quinazolin-2-yl]sulfanyl-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of ChemDiv3_012724
Property Insights of ChemDiv3_012724
The XLogP value of 5.7305 indicates that ChemDiv3_012724 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012724. Following Lipinski's Rule of Five, ChemDiv3_012724 has 1 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 ChemDiv3_012724?
The CAS number of ChemDiv3_012724 is 688355-94-4.
What is the molecular formula of ChemDiv3_012724?
The molecular formula of ChemDiv3_012724 is C23H16ClN3O3S.
What is the molecular weight of ChemDiv3_012724?
The molecular weight of ChemDiv3_012724 is 449.06 g/mol.
Where can I buy ChemDiv3_012724?
You can request a quote for ChemDiv3_012724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012724?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.