Bionet1_000023
TL;DR: Bionet1_000023 (CAS 439096-51-2) is a chemical compound with molecular formula C16H19ClF2N2O2S and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)sulfonyl-5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepine
Also Known As: Bionet1_000023, MixCom2_000085, 1-{[4-(tert-butyl)phenyl]sulfonyl}-5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepine, 1-(4-tert-butylbenzenesulfonyl)-5-(chlorodifluoromethyl)-2,3-dihydro-1H-1,4-diazepine, 1-(4-tert-butylphenyl)sulfonyl-5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepine
| Molecular Formula | C16H19ClF2N2O2S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.7747 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.0824 |
| Heavy Atoms | 24 |
| Complexity | 760.7525 |
Chemical Identifiers
| CAS Number | 439096-51-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)Cl |
Product Overview
Bionet1_000023 (CAS 439096-51-2), with molecular formula C16H19ClF2N2O2S and molecular weight 376.08 g/mol. IUPAC: 1-(4-tert-butylphenyl)sulfonyl-5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepine.
Chemical Property Profile of Bionet1_000023
Property Insights of Bionet1_000023
The XLogP value of 3.7747 indicates that Bionet1_000023 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.74 Ų, Bionet1_000023 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000023 has 0 hydrogen bond donor(s) and 3 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 Bionet1_000023?
The CAS number of Bionet1_000023 is 439096-51-2.
What is the molecular formula of Bionet1_000023?
The molecular formula of Bionet1_000023 is C16H19ClF2N2O2S.
What is the molecular weight of Bionet1_000023?
The molecular weight of Bionet1_000023 is 376.08 g/mol.
Where can I buy Bionet1_000023?
You can request a quote for Bionet1_000023 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000023?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000023 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.