![(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide structure](/static/products/8196/81965-27-7.webp)
(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide
TL;DR: (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide (CAS 81965-27-7) is a chemical compound with molecular formula C8H15ClN4O3 and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide
Also Known As: N-(2-chloroethyl)-N-nitrosocarbamoyl valinamide
| Molecular Formula | C8H15ClN4O3 |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.08327 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 81965-27-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)N)NC(=O)N(CCCl)N=O |
| InChIKey | IGRJPLLAROFTSP-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide (CAS 81965-27-7), with molecular formula C8H15ClN4O3 and molecular weight 250.08 g/mol. IUPAC: (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide.
Chemical Property Profile of (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide
Property Insights of (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide. Following Lipinski's Rule of Five, (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide 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 (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide?
The CAS number of (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide is 81965-27-7.
What is the molecular formula of (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide?
The molecular formula of (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide is C8H15ClN4O3.
What is the molecular weight of (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide?
The molecular weight of (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide is 250.08 g/mol.
Where can I buy (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide?
You can request a quote for (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-methylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.