11E-311S
TL;DR: 11E-311S (CAS 477852-96-3) is a chemical compound with molecular formula C21H15Cl2N3O2S and molecular weight 443.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyridin-2-one
Also Known As: 11E-311S, 1-benzyl-5-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyridin-2-one, 1-benzyl-5-(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)-1,2-dihydropyridin-2-one, 1-benzyl-5-{5-[(3,4-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2(1H)-pyridinone, 1-benzyl-5-(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridin-2-one
| Molecular Formula | C21H15Cl2N3O2S |
|---|---|
| Molecular Weight | 443.03 g/mol |
| LogP | 5.5457 |
| Topological Polar Surface Area | 60.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.0262 |
| Heavy Atoms | 29 |
| Complexity | 1192.013 |
Chemical Identifiers
| CAS Number | 477852-96-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C=CC2=O)C3=NN=C(O3)SCC4=CC(=C(C=C4)Cl)Cl |
Product Overview
11E-311S (CAS 477852-96-3), with molecular formula C21H15Cl2N3O2S and molecular weight 443.03 g/mol. IUPAC: 1-benzyl-5-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyridin-2-one.
Chemical Property Profile of 11E-311S
Property Insights of 11E-311S
The XLogP value of 5.5457 indicates that 11E-311S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 11E-311S. Following Lipinski's Rule of Five, 11E-311S has 0 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 11E-311S?
The CAS number of 11E-311S is 477852-96-3.
What is the molecular formula of 11E-311S?
The molecular formula of 11E-311S is C21H15Cl2N3O2S.
What is the molecular weight of 11E-311S?
The molecular weight of 11E-311S is 443.03 g/mol.
Where can I buy 11E-311S?
You can request a quote for 11E-311S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-311S?
Yes, KEHONG BIO provides custom synthesis services for 11E-311S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.