AM-807/12740431
TL;DR: AM-807/12740431 (CAS 459147-50-3) is a chemical compound with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: AM-807/12740431, (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate, ethyl 6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.27404 |
| Topological Polar Surface Area | 147.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1023.6219 |
Chemical Identifiers
| CAS Number | 459147-50-3 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=CC=C3)O |
Product Overview
AM-807/12740431 (CAS 459147-50-3), with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol. IUPAC: ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-(3-hydroxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of AM-807/12740431
Property Insights of AM-807/12740431
The XLogP value of 2.27404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AM-807/12740431. The TPSA of 147.16 Ų indicates high polarity, suggesting AM-807/12740431 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AM-807/12740431 has 2 hydrogen bond donor(s) and 7 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-807/12740431?
The CAS number of AM-807/12740431 is 459147-50-3.
What is the molecular formula of AM-807/12740431?
The molecular formula of AM-807/12740431 is C21H19N5O3.
What is the molecular weight of AM-807/12740431?
The molecular weight of AM-807/12740431 is 389.15 g/mol.
Where can I buy AM-807/12740431?
You can request a quote for AM-807/12740431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AM-807/12740431?
Yes, KEHONG BIO provides custom synthesis services for AM-807/12740431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.