D101-0044
TL;DR: D101-0044 (CAS 878995-57-4) is a chemical compound with molecular formula C21H22FN3O3S and molecular weight 415.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
Also Known As: D101-0044, N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide, N-cyclohexyl-4-fluoro-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)benzenesulfonamide, N-CYCLOHEXYL-4-FLUORO-N-[(3-PHENYL-1,2,4-OXADIAZOL-5-YL)METHYL]BENZENE-1-SULFONAMIDE
| Molecular Formula | C21H22FN3O3S |
|---|---|
| Molecular Weight | 415.14 g/mol |
| LogP | 4.3993 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.1366 |
| Heavy Atoms | 29 |
| Complexity | 1046.29 |
Chemical Identifiers
| CAS Number | 878995-57-4 |
|---|---|
| SMILES | C1CCC(CC1)N(CC2=NC(=NO2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
D101-0044 (CAS 878995-57-4), with molecular formula C21H22FN3O3S and molecular weight 415.14 g/mol. IUPAC: N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
Chemical Property Profile of D101-0044
Property Insights of D101-0044
The XLogP value of 4.3993 indicates that D101-0044 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for D101-0044. Following Lipinski's Rule of Five, D101-0044 has 0 hydrogen bond donor(s) and 5 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 D101-0044?
The CAS number of D101-0044 is 878995-57-4.
What is the molecular formula of D101-0044?
The molecular formula of D101-0044 is C21H22FN3O3S.
What is the molecular weight of D101-0044?
The molecular weight of D101-0044 is 415.14 g/mol.
Where can I buy D101-0044?
You can request a quote for D101-0044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D101-0044?
Yes, KEHONG BIO provides custom synthesis services for D101-0044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.