N-(o-Nitrophenylthio)-L-isoleucine
TL;DR: N-(o-Nitrophenylthio)-L-isoleucine (CAS 7690-79-1) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
Also Known As: N-(o-Nitrophenylthio)-L-isoleucine, n-[(2-nitrophenyl)sulfanyl]-l-isoleucine, N-[(2-Nitrophenyl)sulfanyl]isoleucine, N-(o-Nitrophenylsulfenyl)-L-isoleucine, (2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 7690-79-1 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NSC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | UFHDHBSNSXORPU-KWQFWETISA-N |
Product Overview
N-(o-Nitrophenylthio)-L-isoleucine (CAS 7690-79-1), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: (2S,3S)-3-methyl-2-[(2-nitrophenyl)sulfanylamino]pentanoic acid.
Chemical Property Profile of N-(o-Nitrophenylthio)-L-isoleucine
Property Insights of N-(o-Nitrophenylthio)-L-isoleucine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(o-Nitrophenylthio)-L-isoleucine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(o-Nitrophenylthio)-L-isoleucine. Following Lipinski's Rule of Five, N-(o-Nitrophenylthio)-L-isoleucine has 2 hydrogen bond donor(s) and 6 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-(o-Nitrophenylthio)-L-isoleucine?
The CAS number of N-(o-Nitrophenylthio)-L-isoleucine is 7690-79-1.
What is the molecular formula of N-(o-Nitrophenylthio)-L-isoleucine?
The molecular formula of N-(o-Nitrophenylthio)-L-isoleucine is C12H16N2O4S.
What is the molecular weight of N-(o-Nitrophenylthio)-L-isoleucine?
The molecular weight of N-(o-Nitrophenylthio)-L-isoleucine is 284.08 g/mol.
Where can I buy N-(o-Nitrophenylthio)-L-isoleucine?
You can request a quote for N-(o-Nitrophenylthio)-L-isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(o-Nitrophenylthio)-L-isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-(o-Nitrophenylthio)-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.