C13H14ClNO2
TL;DR: C13H14ClNO2 (CAS 1166836-13-0) is a chemical compound with molecular formula C13H14ClNO2 and molecular weight 251.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(Z)-3-chlorobut-2-enyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 4-(3-chloro-2-buten-1-yl)-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione, (3aR)-2-((Z)-3-chlorobut-2-en-1-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, (Z)-2-(3-chlorobut-2-en-1-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 2-[(2Z)-3-chlorobut-2-en-1-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Technical Specifications
| Molecular Formula | C13H14ClNO2 |
| Molecular Weight | 251.0713 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0713 Da |
| Heavy Atoms | 17 |
| Complexity | 424.0 |
| SMILES | C/C(=C/CN1C(=O)C2C3CC(C2C1=O)C=C3)/Cl |
| InChIKey | RLHSXOHTBSCPIN-DAXSKMNVSA-N |
Chemical Property Profile of C13H14ClNO2
Property Insights of C13H14ClNO2
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H14ClNO2. With a topological polar surface area (TPSA) of 37.4 Ų, C13H14ClNO2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H14ClNO2 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C13H14ClNO2?
The CAS number of C13H14ClNO2 is 1166836-13-0.
What is the molecular formula of C13H14ClNO2?
The molecular formula of C13H14ClNO2 is C13H14ClNO2.
What is the molecular weight of C13H14ClNO2?
The molecular weight of C13H14ClNO2 is 251.0713 g/mol.
Where can I buy C13H14ClNO2?
You can request a quote for C13H14ClNO2 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C13H14ClNO2?
Yes, CoreyChem provides custom synthesis services for C13H14ClNO2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.