N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CAS 714940-59-7) is a chemical compound with molecular formula C16H18N4O4S and molecular weight 362.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide, N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N4-(5-ethyl-1,3,4-thiadiazol-2-yl)succinamide, N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
| Molecular Formula | C16H18N4O4S |
|---|---|
| Molecular Weight | 362.10 g/mol |
| LogP | 1.8643 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.1049 |
| Heavy Atoms | 25 |
| Complexity | 777.24524 |
Chemical Identifiers
| CAS Number | 714940-59-7 |
|---|---|
| SMILES | CCC1=NN=C(S1)NC(=O)CCC(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CAS 714940-59-7), with molecular formula C16H18N4O4S and molecular weight 362.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
The XLogP value of 1.8643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide has 2 hydrogen bond donor(s) and 7 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 N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is 714940-59-7.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is C16H18N4O4S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is 362.10 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.