ChemDiv3_008956
TL;DR: ChemDiv3_008956 (CAS 957671-91-9) is a chemical compound with molecular formula C28H26N4O2S and molecular weight 482.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methylphenyl)methyl]-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide
Also Known As: ChemDiv3_008956, IDI1_026866, N-[(4-methylphenyl)methyl]-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)butanamide, BRD-A36443058-001-01-6, F6548-1604
| Molecular Formula | C28H26N4O2S |
|---|---|
| Molecular Weight | 482.18 g/mol |
| LogP | 5.15442 |
| Topological Polar Surface Area | 74.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 482.17764 |
| Heavy Atoms | 35 |
| Complexity | 1318.2987 |
Chemical Identifiers
| CAS Number | 957671-91-9 |
|---|---|
| SMILES | CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC=CC=C3C4=NC(C(=O)N42)C5=CC=CC=C5 |
Product Overview
ChemDiv3_008956 (CAS 957671-91-9), with molecular formula C28H26N4O2S and molecular weight 482.18 g/mol. IUPAC: N-[(4-methylphenyl)methyl]-2-[(3-oxo-2-phenyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]butanamide.
Chemical Property Profile of ChemDiv3_008956
Property Insights of ChemDiv3_008956
The XLogP value of 5.15442 indicates that ChemDiv3_008956 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_008956. Following Lipinski's Rule of Five, ChemDiv3_008956 has 1 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 ChemDiv3_008956?
The CAS number of ChemDiv3_008956 is 957671-91-9.
What is the molecular formula of ChemDiv3_008956?
The molecular formula of ChemDiv3_008956 is C28H26N4O2S.
What is the molecular weight of ChemDiv3_008956?
The molecular weight of ChemDiv3_008956 is 482.18 g/mol.
Where can I buy ChemDiv3_008956?
You can request a quote for ChemDiv3_008956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_008956?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_008956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.