N-1,3,4-thiadiazol-2-yl-benzamide
TL;DR: N-1,3,4-thiadiazol-2-yl-benzamide (CAS 27022-16-8) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate
Also Known As: N-1,3,4-thiadiazol-2-yl-benzamide, Ethyl 1H-pyrrolo[3,4-b]quinoline-2(3H)-carboxylate, ethyl 1,3-dihydro-2h-pyrrolo[3,4-b]quinoline-2-carboxylate, ethyl 1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate, J1.103.278H
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 27022-16-8 |
|---|---|
| SMILES | CCOC(=O)N1CC2=CC3=CC=CC=C3N=C2C1 |
| InChIKey | DPNXOZFTZHIWAF-UHFFFAOYSA-N |
Product Overview
N-1,3,4-thiadiazol-2-yl-benzamide (CAS 27022-16-8), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: ethyl 1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate.
Chemical Property Profile of N-1,3,4-thiadiazol-2-yl-benzamide
Property Insights of N-1,3,4-thiadiazol-2-yl-benzamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3,4-thiadiazol-2-yl-benzamide. With a topological polar surface area (TPSA) of 42.4 Ų, N-1,3,4-thiadiazol-2-yl-benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-1,3,4-thiadiazol-2-yl-benzamide has 0 hydrogen bond donor(s) and 3 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-1,3,4-thiadiazol-2-yl-benzamide?
The CAS number of N-1,3,4-thiadiazol-2-yl-benzamide is 27022-16-8.
What is the molecular formula of N-1,3,4-thiadiazol-2-yl-benzamide?
The molecular formula of N-1,3,4-thiadiazol-2-yl-benzamide is C14H14N2O2.
What is the molecular weight of N-1,3,4-thiadiazol-2-yl-benzamide?
The molecular weight of N-1,3,4-thiadiazol-2-yl-benzamide is 242.11 g/mol.
Where can I buy N-1,3,4-thiadiazol-2-yl-benzamide?
You can request a quote for N-1,3,4-thiadiazol-2-yl-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1,3,4-thiadiazol-2-yl-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,3,4-thiadiazol-2-yl-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.