CCRIS 6646
TL;DR: CCRIS 6646 (CAS 144605-96-9) is a chemical compound with molecular formula C14H14N4O5 and molecular weight 318.0964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-methyl-6-nitro-2-nitroso-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
Also Known As: 2,3,4,9-Tetrahydro-1-methyl-6-nitro-2-nitroso-1H-pyrido(3,4-b)indole-3-carboxylic acid, methyl ester, Methyl 1-methyl-6-nitro-2-nitroso-1,3,4,9-tetrahydropyrido(3,4)-bindole-3-carboxylate, 1H-Pyrido[3,4-b]indole-3-carboxylicacid, 2,3,4,9-tetrahydro-1-methyl-6-nitro-2-nitroso-, methyl ester, methyl 1-methyl-6-nitro-2-nitroso-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate, Methyl 1-methyl-6-nitro-2-nitroso-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Technical Specifications
| Molecular Formula | C14H14N4O5 |
| Molecular Weight | 318.0964 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.0964 Da |
| Heavy Atoms | 23 |
| Complexity | 510.0 |
| SMILES | CC1C2=C(CC(N1N=O)C(=O)OC)C3=C(N2)C=CC(=C3)[N+](=O)[O-] |
| InChIKey | IKTLBDPHWJHKRH-UHFFFAOYSA-N |
Chemical Property Profile of CCRIS 6646
Property Insights of CCRIS 6646
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CCRIS 6646. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CCRIS 6646. Following Lipinski's Rule of Five, CCRIS 6646 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
What is the CAS number of CCRIS 6646?
The CAS number of CCRIS 6646 is 144605-96-9.
What is the molecular formula of CCRIS 6646?
The molecular formula of CCRIS 6646 is C14H14N4O5.
What is the molecular weight of CCRIS 6646?
The molecular weight of CCRIS 6646 is 318.0964 g/mol.
Where can I buy CCRIS 6646?
You can request a quote for CCRIS 6646 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CCRIS 6646?
Yes, CoreyChem provides custom synthesis services for CCRIS 6646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.