BAS 10851313
TL;DR: BAS 10851313 (CAS 876879-41-3) is a chemical compound with molecular formula C14H14Cl2N2O2S and molecular weight 344.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
Also Known As: BAS 10851313, 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one, 1-{[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
| Molecular Formula | C14H14Cl2N2O2S |
|---|---|
| Molecular Weight | 344.02 g/mol |
| LogP | 4.7507 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0153 |
| Heavy Atoms | 21 |
| Complexity | 665.2339 |
Chemical Identifiers
| CAS Number | 876879-41-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)CSC1=NN=C(O1)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
BAS 10851313 (CAS 876879-41-3), with molecular formula C14H14Cl2N2O2S and molecular weight 344.02 g/mol. IUPAC: 1-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one.
Chemical Property Profile of BAS 10851313
Property Insights of BAS 10851313
The XLogP value of 4.7507 indicates that BAS 10851313 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.99 Ų, BAS 10851313 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 10851313 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 BAS 10851313?
The CAS number of BAS 10851313 is 876879-41-3.
What is the molecular formula of BAS 10851313?
The molecular formula of BAS 10851313 is C14H14Cl2N2O2S.
What is the molecular weight of BAS 10851313?
The molecular weight of BAS 10851313 is 344.02 g/mol.
Where can I buy BAS 10851313?
You can request a quote for BAS 10851313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10851313?
Yes, KEHONG BIO provides custom synthesis services for BAS 10851313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.