A0838/0039313
TL;DR: A0838/0039313 (CAS 83049-47-2) is a chemical compound with molecular formula C19H17N5 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-methyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: A0838/0039313, 6-amino-2-methyl-8-phenyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-tricarbonit rile, 6-amino-2-methyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-2-methyl-8-phenyl-2,3,8,8a-tetrahydro-1h-isoquinoline-5,7,7-tricarbonitrile, 6-amino-2-methyl-8-phenyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
| Molecular Formula | C19H17N5 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 2.04174 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.1484 |
| Heavy Atoms | 24 |
| Complexity | 830.4738 |
Chemical Identifiers
| CAS Number | 83049-47-2 |
|---|---|
| SMILES | CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3 |
Product Overview
A0838/0039313 (CAS 83049-47-2), with molecular formula C19H17N5 and molecular weight 315.15 g/mol. IUPAC: 6-amino-2-methyl-8-phenyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of A0838/0039313
Property Insights of A0838/0039313
The XLogP value of 2.04174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A0838/0039313. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for A0838/0039313. Following Lipinski's Rule of Five, A0838/0039313 has 1 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 A0838/0039313?
The CAS number of A0838/0039313 is 83049-47-2.
What is the molecular formula of A0838/0039313?
The molecular formula of A0838/0039313 is C19H17N5.
What is the molecular weight of A0838/0039313?
The molecular weight of A0838/0039313 is 315.15 g/mol.
Where can I buy A0838/0039313?
You can request a quote for A0838/0039313 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0838/0039313?
Yes, KEHONG BIO provides custom synthesis services for A0838/0039313 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.