Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
TL;DR: Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- (CAS 80687-30-5) is a chemical compound with molecular formula C9H16ClN3O4 and molecular weight 265.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylpentanoic acid
Also Known As: Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-, N-((2-Chloroethyl)nitrosocarbamoyl)-L-isoleucine, N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-isoleucine, L-Isoleucine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, N-(Chloro-2 ethyl)-N-nitrosocarbamyl-L-isoleucine [French]
| Molecular Formula | C9H16ClN3O4 |
|---|---|
| Molecular Weight | 265.08 g/mol |
| LogP | 1.4175 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 265.08295 |
| Heavy Atoms | 17 |
| Complexity | 287.41452 |
Chemical Identifiers
| CAS Number | 80687-30-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)N(CCCl)N=O |
Product Overview
Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- (CAS 80687-30-5), with molecular formula C9H16ClN3O4 and molecular weight 265.08 g/mol. IUPAC: (2S,3S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylpentanoic acid.
Chemical Property Profile of Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
Property Insights of Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-
The XLogP value of 1.4175 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-. Following Lipinski's Rule of Five, Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- has 2 hydrogen bond donor(s) and 4 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 Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
The CAS number of Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- is 80687-30-5.
What is the molecular formula of Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
The molecular formula of Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- is C9H16ClN3O4.
What is the molecular weight of Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
The molecular weight of Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- is 265.08 g/mol.
Where can I buy Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
You can request a quote for Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L-?
Yes, KEHONG BIO provides custom synthesis services for Isoleucine, N-((2-chloroethyl)nitrosocarbamoyl)-, L- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.