1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-
TL;DR: 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- (CAS 83796-30-9) is a chemical compound with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
Also Known As: 5-(1,3-Benzodioxol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-, 5-(2H-1,3-Benzodioxol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine, RefChem:217008
| Molecular Formula | C12H13N3O2S |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 2.7557 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.07285 |
| Heavy Atoms | 18 |
| Complexity | 556.0056 |
Chemical Identifiers
| CAS Number | 83796-30-9 |
|---|---|
| SMILES | CCCNC1=NN=C(S1)C2=CC3=C(C=C2)OCO3 |
Product Overview
1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- (CAS 83796-30-9), with molecular formula C12H13N3O2S and molecular weight 263.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-
Property Insights of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-
The XLogP value of 2.7557 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-. With a topological polar surface area (TPSA) of 56.27 Ų, 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- has 1 hydrogen bond donor(s) and 6 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-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-?
The CAS number of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- is 83796-30-9.
What is the molecular formula of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-?
The molecular formula of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- is C12H13N3O2S.
What is the molecular weight of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-?
The molecular weight of 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- is 263.07 g/mol.
Where can I buy 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-?
You can request a quote for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- 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-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazol-2-amine, 5-(1,3-benzodioxol-5-yl)-N-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.