AM-807/41128591
TL;DR: AM-807/41128591 (CAS 445391-36-6) is a chemical compound with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-6-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: AM-807/41128591, prop-2-enyl 5-cyano-6-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate, allyl 5'-cyano-6'-((2-((ethoxycarbonyl)amino)-2-oxoethyl)thio)-2'-methyl-1',4'-dihydro-[3,4'-bipyridine]-3'-carboxylate, allyl 5-cyano-6-({2-[(ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydro-3',4-bipyridine-3-carboxylate, prop-2-en-1-yl 5'-cyano-6'-({2-[(ethoxycarbonyl)amino]-2-oxoethyl}sulfanyl)-2'-methyl-1',4'-dihydro-3,4'-bipyridine-3'-carboxylate
| Molecular Formula | C21H22N4O5S |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.1311 |
| Heavy Atoms | 31 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 445391-36-6 |
|---|---|
| SMILES | CCOC(=O)NC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CN=CC=C2)C#N |
| InChIKey | FXICRDCGAVJNJN-UHFFFAOYSA-N |
Product Overview
AM-807/41128591 (CAS 445391-36-6), with molecular formula C21H22N4O5S and molecular weight 442.13 g/mol. IUPAC: prop-2-enyl 5-cyano-6-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-2-methyl-4-pyridin-3-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of AM-807/41128591
Property Insights of AM-807/41128591
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AM-807/41128591. The TPSA of 156.0 Ų indicates high polarity, suggesting AM-807/41128591 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AM-807/41128591 has 2 hydrogen bond donor(s) and 9 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 AM-807/41128591?
The CAS number of AM-807/41128591 is 445391-36-6.
What is the molecular formula of AM-807/41128591?
The molecular formula of AM-807/41128591 is C21H22N4O5S.
What is the molecular weight of AM-807/41128591?
The molecular weight of AM-807/41128591 is 442.13 g/mol.
Where can I buy AM-807/41128591?
You can request a quote for AM-807/41128591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AM-807/41128591?
Yes, KEHONG BIO provides custom synthesis services for AM-807/41128591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.