C25H17ClIN3O
TL;DR: C25H17ClIN3O (CAS 799799-29-4) is a chemical compound with molecular formula C25H17ClIN3O and molecular weight 537.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one
Also Known As: (E)-3-(4-chlorophenyl)-6-iodo-2-(2-(1-methyl-1H-indol-3-yl)vinyl)quinazolin-4(3H)-one, 3-(4-chlorophenyl)-6-iodo-2-[(E)-2-(1-methyl-1H-indol-3-yl)ethenyl]quinazolin-4(3H)-one, 3-(4-chlorophenyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one, 3-(4-chlorophenyl)-6-iodo-2-[2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one
| Molecular Formula | C25H17ClIN3O |
|---|---|
| Molecular Weight | 537.01 g/mol |
| LogP | 6.3058 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 537.0105 |
| Heavy Atoms | 31 |
| Complexity | 1531.047 |
Chemical Identifiers
| CAS Number | 799799-29-4 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3C5=CC=C(C=C5)Cl |
Product Overview
C25H17ClIN3O (CAS 799799-29-4), with molecular formula C25H17ClIN3O and molecular weight 537.01 g/mol. IUPAC: 3-(4-chlorophenyl)-6-iodo-2-[(E)-2-(1-methylindol-3-yl)ethenyl]quinazolin-4-one.
Chemical Property Profile of C25H17ClIN3O
Property Insights of C25H17ClIN3O
The XLogP value of 6.3058 indicates that C25H17ClIN3O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, C25H17ClIN3O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C25H17ClIN3O has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H17ClIN3O?
The CAS number of C25H17ClIN3O is 799799-29-4.
What is the molecular formula of C25H17ClIN3O?
The molecular formula of C25H17ClIN3O is C25H17ClIN3O.
What is the molecular weight of C25H17ClIN3O?
The molecular weight of C25H17ClIN3O is 537.01 g/mol.
Where can I buy C25H17ClIN3O?
You can request a quote for C25H17ClIN3O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H17ClIN3O?
Yes, KEHONG BIO provides custom synthesis services for C25H17ClIN3O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.