AO-476/43324685
TL;DR: AO-476/43324685 (CAS 588679-61-2) is a chemical compound with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(pyridin-3-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AO-476/43324685, methyl 2-(pyridin-3-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[(pyridin-3-ylmethyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-({[(3-pyridylmethyl)amino]thioxomethyl}amino)-4,5,6-trihydrocyclopent a[2,1-b]thiophene-3-carboxylate, methyl 2-(3-(pyridin-3-ylmethyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C16H17N3O2S2 |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.905 |
| Topological Polar Surface Area | 63.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.07623 |
| Heavy Atoms | 23 |
| Complexity | 728.42664 |
Chemical Identifiers
| CAS Number | 588679-61-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CN=CC=C3 |
Product Overview
AO-476/43324685 (CAS 588679-61-2), with molecular formula C16H17N3O2S2 and molecular weight 347.08 g/mol. IUPAC: methyl 2-(pyridin-3-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AO-476/43324685
Property Insights of AO-476/43324685
The XLogP value of 2.905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-476/43324685. The TPSA of 63.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-476/43324685. Following Lipinski's Rule of Five, AO-476/43324685 has 2 hydrogen bond donor(s) and 5 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 AO-476/43324685?
The CAS number of AO-476/43324685 is 588679-61-2.
What is the molecular formula of AO-476/43324685?
The molecular formula of AO-476/43324685 is C16H17N3O2S2.
What is the molecular weight of AO-476/43324685?
The molecular weight of AO-476/43324685 is 347.08 g/mol.
Where can I buy AO-476/43324685?
You can request a quote for AO-476/43324685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-476/43324685?
Yes, KEHONG BIO provides custom synthesis services for AO-476/43324685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.