ChemDiv3_009405
TL;DR: ChemDiv3_009405 (CAS 851803-05-9) is a chemical compound with molecular formula C21H21ClFN3O4S2 and molecular weight 497.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
Also Known As: ChemDiv3_009405, IDI1_027315, F0630-0913, (2-((2-chloro-6-fluorobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(4-(morpholinosulfonyl)phenyl)methanone, 4-[4-(2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole-1-carbonyl)benzenesulfonyl]morpholine
| Molecular Formula | C21H21ClFN3O4S2 |
|---|---|
| Molecular Weight | 497.06 g/mol |
| LogP | 3.2452 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.0646 |
| Heavy Atoms | 32 |
| Complexity | 1115.9838 |
Chemical Identifiers
| CAS Number | 851803-05-9 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=C(C=CC=C2Cl)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4 |
Product Overview
ChemDiv3_009405 (CAS 851803-05-9), with molecular formula C21H21ClFN3O4S2 and molecular weight 497.06 g/mol. IUPAC: [2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone.
Chemical Property Profile of ChemDiv3_009405
Property Insights of ChemDiv3_009405
The XLogP value of 3.2452 indicates that ChemDiv3_009405 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_009405. Following Lipinski's Rule of Five, ChemDiv3_009405 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_009405?
The CAS number of ChemDiv3_009405 is 851803-05-9.
What is the molecular formula of ChemDiv3_009405?
The molecular formula of ChemDiv3_009405 is C21H21ClFN3O4S2.
What is the molecular weight of ChemDiv3_009405?
The molecular weight of ChemDiv3_009405 is 497.06 g/mol.
Where can I buy ChemDiv3_009405?
You can request a quote for ChemDiv3_009405 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_009405?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_009405 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.