1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-
TL;DR: 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- (CAS 90057-58-2) is a chemical compound with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-(4-nitrophenyl)-2,3-dihydro-1,3,4-thiadiazole
Also Known As: WBUDSFZVSCFEFR-UHFFFAOYSA, WBUDSFZVSCFEFR-UHFFFAOYSA-, 5-benzyl-2-(4-nitrophenyl)-2,3-dihydro-1,3,4-thiadiazole, BIM-0048356.P001, 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-
| Molecular Formula | C15H13N3O2S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 3.486 |
| Topological Polar Surface Area | 67.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07285 |
| Heavy Atoms | 21 |
| Complexity | 671.0779 |
Chemical Identifiers
| CAS Number | 90057-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NNC(S2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- (CAS 90057-58-2), with molecular formula C15H13N3O2S and molecular weight 299.07 g/mol. IUPAC: 5-benzyl-2-(4-nitrophenyl)-2,3-dihydro-1,3,4-thiadiazole.
Chemical Property Profile of 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-
Property Insights of 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-
The XLogP value of 3.486 indicates that 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- has 1 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 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-?
The CAS number of 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- is 90057-58-2.
What is the molecular formula of 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-?
The molecular formula of 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- is C15H13N3O2S.
What is the molecular weight of 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-?
The molecular weight of 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- is 299.07 g/mol.
Where can I buy 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-?
You can request a quote for 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole, 2,3-dihydro-2-(4-nitrophenyl)-5-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.