Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester
TL;DR: Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester (CAS 107811-13-2) is a chemical compound with molecular formula C9H11N3O3S and molecular weight 241.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate
Also Known As: Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester, N-(1,3,4-Thiadiazol-2-yl)succinamic acid allyl ester, Butanoic acid, 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)-, 2-propenyl ester, prop-2-enyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate, Prop-2-en-1-yl 4-oxo-4-[(1,3,4-thiadiazol-2-yl)amino]butanoate
| Molecular Formula | C9H11N3O3S |
|---|---|
| Molecular Weight | 241.05 g/mol |
| LogP | 0.986 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.05211 |
| Heavy Atoms | 16 |
| Complexity | 364.08594 |
Chemical Identifiers
| CAS Number | 107811-13-2 |
|---|---|
| SMILES | C=CCOC(=O)CCC(=O)NC1=NN=CS1 |
Product Overview
Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester (CAS 107811-13-2), with molecular formula C9H11N3O3S and molecular weight 241.05 g/mol. IUPAC: prop-2-enyl 4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoate.
Chemical Property Profile of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester
Property Insights of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester
The XLogP value of 0.986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester. Following Lipinski's Rule of Five, Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester 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 Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester?
The CAS number of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester is 107811-13-2.
What is the molecular formula of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester?
The molecular formula of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester is C9H11N3O3S.
What is the molecular weight of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester?
The molecular weight of Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester is 241.05 g/mol.
Where can I buy Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester?
You can request a quote for Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester?
Yes, KEHONG BIO provides custom synthesis services for Succinamic acid, N-(1,3,4-thiadiazol-2-yl)-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.