CM 29-712
TL;DR: CM 29-712 (CAS 3120-27-2) is a chemical compound with molecular formula C17H19N3 and molecular weight 265.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile
Also Known As: 6605 VUFB, D-6-Methyl-8-cyanomethylergoline, D-6-Methylergoline-8-acetonitrile, 6-Methyl-8-cyanomethylergoline, D-, 6-Methyl-8 alpha-1-cyanomethylergoline
| Molecular Formula | C17H19N3 |
|---|---|
| Molecular Weight | 265.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 265.1579 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 3120-27-2 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC#N |
| InChIKey | LBMFWYCMCHRLBU-YTXUZFAGSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CM 29-712 (CAS 3120-27-2), with molecular formula C17H19N3 and molecular weight 265.16 g/mol. IUPAC: 2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetonitrile.
Chemical Property Profile of CM 29-712
Property Insights of CM 29-712
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CM 29-712. With a topological polar surface area (TPSA) of 42.8 Ų, CM 29-712 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CM 29-712 has 1 hydrogen bond donor(s) and 2 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 CM 29-712?
The CAS number of CM 29-712 is 3120-27-2.
What is the molecular formula of CM 29-712?
The molecular formula of CM 29-712 is C17H19N3.
What is the molecular weight of CM 29-712?
The molecular weight of CM 29-712 is 265.16 g/mol.
Where can I buy CM 29-712?
You can request a quote for CM 29-712 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CM 29-712?
Yes, KEHONG BIO provides custom synthesis services for CM 29-712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.