ChemDiv1_012400
TL;DR: ChemDiv1_012400 (CAS 313248-71-4) is a chemical compound with molecular formula C14H15N5O5S and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ChemDiv1_012400, BAS 00924215, BIM-0009395.P001, ethyl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-{[(3-nitro-1H-1,2,4-triazol-1-yl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C14H15N5O5S |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 1.5519 |
| Topological Polar Surface Area | 129.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.07938 |
| Heavy Atoms | 25 |
| Complexity | 842.7812 |
Chemical Identifiers
| CAS Number | 313248-71-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C=NC(=N3)[N+](=O)[O-] |
Product Overview
ChemDiv1_012400 (CAS 313248-71-4), with molecular formula C14H15N5O5S and molecular weight 365.08 g/mol. IUPAC: ethyl 2-[[2-(3-nitro-1,2,4-triazol-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_012400
Property Insights of ChemDiv1_012400
The XLogP value of 1.5519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_012400. The TPSA of 129.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012400. Following Lipinski's Rule of Five, ChemDiv1_012400 has 1 hydrogen bond donor(s) and 8 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 ChemDiv1_012400?
The CAS number of ChemDiv1_012400 is 313248-71-4.
What is the molecular formula of ChemDiv1_012400?
The molecular formula of ChemDiv1_012400 is C14H15N5O5S.
What is the molecular weight of ChemDiv1_012400?
The molecular weight of ChemDiv1_012400 is 365.08 g/mol.
Where can I buy ChemDiv1_012400?
You can request a quote for ChemDiv1_012400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012400?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.