C19H15ClN6O2
TL;DR: C19H15ClN6O2 (CAS 306272-89-9) is a chemical compound with molecular formula C19H15ClN6O2 and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C19H15ClN6O2 |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 2.60334 |
| Topological Polar Surface Area | 143.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.0945 |
| Heavy Atoms | 28 |
| Complexity | 1041.6528 |
Chemical Identifiers
| CAS Number | 306272-89-9 |
|---|---|
| SMILES | CN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
C19H15ClN6O2 (CAS 306272-89-9), with molecular formula C19H15ClN6O2 and molecular weight 394.09 g/mol. IUPAC: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of C19H15ClN6O2
Property Insights of C19H15ClN6O2
The XLogP value of 2.60334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H15ClN6O2. The TPSA of 143.77 Ų indicates high polarity, suggesting C19H15ClN6O2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H15ClN6O2 has 1 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 C19H15ClN6O2?
The CAS number of C19H15ClN6O2 is 306272-89-9.
What is the molecular formula of C19H15ClN6O2?
The molecular formula of C19H15ClN6O2 is C19H15ClN6O2.
What is the molecular weight of C19H15ClN6O2?
The molecular weight of C19H15ClN6O2 is 394.09 g/mol.
Where can I buy C19H15ClN6O2?
You can request a quote for C19H15ClN6O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H15ClN6O2?
Yes, KEHONG BIO provides custom synthesis services for C19H15ClN6O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.