2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-
TL;DR: 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- (CAS 39498-67-4) is a chemical compound with molecular formula C7H10Cl2N2O4 and molecular weight 256.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-oxobutyl)-N-(3-chloro-2-oxopropyl)nitramide
Also Known As: 1-Chloro-4-(N-(3-chloro-2-oxopropyl)N-nitroamino)-2-butanone, 2-BUTANONE, 1-CHLORO-4-(N-(3-CHLORO-2-OXOPROPYL)-N-NITROAMINO)-, N-(4-chloro-3-oxobutyl)-N-(3-chloro-2-oxopropyl)nitramide, 1-Chloro-4-[N-(3-chloro-2-oxopropyl)-N-nitroamino]-2-butanone, 1-CHLORO-4-[(3-CHLORO-2-OXOPROPYL)(NITRO)AMINO]BUTAN-2-ONE
| Molecular Formula | C7H10Cl2N2O4 |
|---|---|
| Molecular Weight | 256.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 83.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.00177 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 39498-67-4 |
|---|---|
| SMILES | C(CN(CC(=O)CCl)[N+](=O)[O-])C(=O)CCl |
| InChIKey | REHIJDHUXKPVLK-UHFFFAOYSA-N |
Product Overview
2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- (CAS 39498-67-4), with molecular formula C7H10Cl2N2O4 and molecular weight 256.00 g/mol. IUPAC: N-(4-chloro-3-oxobutyl)-N-(3-chloro-2-oxopropyl)nitramide.
Chemical Property Profile of 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-
Property Insights of 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-. Following Lipinski's Rule of Five, 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- has 0 hydrogen bond donor(s) and 5 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 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-?
The CAS number of 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- is 39498-67-4.
What is the molecular formula of 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-?
The molecular formula of 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- is C7H10Cl2N2O4.
What is the molecular weight of 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-?
The molecular weight of 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- is 256.00 g/mol.
Where can I buy 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-?
You can request a quote for 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 1-chloro-4-(N-(3-chloro-2-oxopropyl)-N-nitroamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.