N-Chloroacetyl-dl-isoleucine
TL;DR: N-Chloroacetyl-dl-isoleucine (CAS 67253-30-9) is a chemical compound with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloroacetyl)amino]-3-methylpentanoic acid
Also Known As: N-Chloroacetyl-dl-isoleucine, Chloroacetyl-dl-isoleucine, Chloroac-Ile-OH, N-(Chloroacetyl)isoleucine, N-(Chloroacetyl)isoleucine #
| Molecular Formula | C8H14ClNO3 |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.06622 |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 67253-30-9 |
|---|---|
| SMILES | CCC(C)C(C(=O)O)NC(=O)CCl |
| InChIKey | HEZNGQNQHGVQLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Chloroacetyl-dl-isoleucine (CAS 67253-30-9), with molecular formula C8H14ClNO3 and molecular weight 207.07 g/mol. IUPAC: 2-[(2-chloroacetyl)amino]-3-methylpentanoic acid.
Chemical Property Profile of N-Chloroacetyl-dl-isoleucine
Property Insights of N-Chloroacetyl-dl-isoleucine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Chloroacetyl-dl-isoleucine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Chloroacetyl-dl-isoleucine. Following Lipinski's Rule of Five, N-Chloroacetyl-dl-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
Frequently Asked Questions
What is the CAS number of N-Chloroacetyl-dl-isoleucine?
The CAS number of N-Chloroacetyl-dl-isoleucine is 67253-30-9.
What is the molecular formula of N-Chloroacetyl-dl-isoleucine?
The molecular formula of N-Chloroacetyl-dl-isoleucine is C8H14ClNO3.
What is the molecular weight of N-Chloroacetyl-dl-isoleucine?
The molecular weight of N-Chloroacetyl-dl-isoleucine is 207.07 g/mol.
Where can I buy N-Chloroacetyl-dl-isoleucine?
You can request a quote for N-Chloroacetyl-dl-isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Chloroacetyl-dl-isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-Chloroacetyl-dl-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.