N-(Chloroacetyl)-L-isoleucine
TL;DR: N-(Chloroacetyl)-L-isoleucine (CAS 1115-24-8) is a chemical compound with molecular formula C8H14ClNO3 and molecular weight 207.06622 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[(2-chloroacetyl)amino]-3-methylpentanoic acid
Also Known As: Chloroac-Ile-OH, Chloroacetyl-dl-isoleucine, N-(Chloroacetyl)-L-isoleucine, N-Chloroacetyl-dl-isoleucine, Chloroacetyl-L-Ile-OH
Technical Specifications
| Molecular Formula | C8H14ClNO3 |
| Molecular Weight | 207.06622 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.06622 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)CCl |
| InChIKey | HEZNGQNQHGVQLO-FSPLSTOPSA-N |
Chemical Property Profile of N-(Chloroacetyl)-L-isoleucine
Property Insights of N-(Chloroacetyl)-L-isoleucine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(Chloroacetyl)-L-isoleucine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Chloroacetyl)-L-isoleucine. Following Lipinski's Rule of Five, N-(Chloroacetyl)-L-isoleucine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(Chloroacetyl)-L-isoleucine?
The CAS number of N-(Chloroacetyl)-L-isoleucine is 1115-24-8.
What is the molecular formula of N-(Chloroacetyl)-L-isoleucine?
The molecular formula of N-(Chloroacetyl)-L-isoleucine is C8H14ClNO3.
What is the molecular weight of N-(Chloroacetyl)-L-isoleucine?
The molecular weight of N-(Chloroacetyl)-L-isoleucine is 207.06622 g/mol.
Where can I buy N-(Chloroacetyl)-L-isoleucine?
You can request a quote for N-(Chloroacetyl)-L-isoleucine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(Chloroacetyl)-L-isoleucine?
Yes, CoreyChem provides custom synthesis services for N-(Chloroacetyl)-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.