methylidene}threonine structure](/static/products/8068/80687-08-7.webp)
N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine
TL;DR: N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine (CAS 80687-08-7) is a chemical compound with molecular formula C7H12ClN3O5 and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoic acid
Also Known As: n-[(2-chloroethyl)(nitroso)carbamoyl]threonine, N-((2-Chloroethyl)nitrosocarbamoyl)-L-threonine, Threonine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-, N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-threonine, L-Threonine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-
| Molecular Formula | C7H12ClN3O5 |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.04655 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 80687-08-7 |
|---|---|
| SMILES | CC(C(C(=O)O)NC(=O)N(CCCl)N=O)O |
| InChIKey | UFEWHGLVHGVTFY-UHFFFAOYSA-N |
Product Overview
N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine (CAS 80687-08-7), with molecular formula C7H12ClN3O5 and molecular weight 253.05 g/mol. IUPAC: 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoic acid.
Chemical Property Profile of N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine
Property Insights of N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine. Following Lipinski's Rule of Five, N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine has 3 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-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine?
The CAS number of N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine is 80687-08-7.
What is the molecular formula of N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine?
The molecular formula of N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine is C7H12ClN3O5.
What is the molecular weight of N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine?
The molecular weight of N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine is 253.05 g/mol.
Where can I buy N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine?
You can request a quote for N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine?
Yes, KEHONG BIO provides custom synthesis services for N-{[(2-Chloroethyl)(nitroso)amino](hydroxy)methylidene}threonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.