2-Chloro-N-isobutyl-acetamide
TL;DR: 2-Chloro-N-isobutyl-acetamide (CAS 81786-31-4) is a chemical compound with molecular formula C10H19ClN2O5 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,3aR,6S,6aS)-3-(diethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride
Also Known As: 2-Chloro-N-isobutyl-acetamide, L-Iditol, 1,4:3,6-dianhydro-2-deoxy-2-(diethylamino)-, 5-nitrate, monohydrochloride, 1,4:3,6-Dianhydro-2-deoxy-2-(diethylamino)-L-iditol 5-nitrate monohydrochloride, 5-Diaethylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid [German], 5-Diaethylamino-5-desoxy-1,4:3,6-dianhydro-L-idit-2-nitrat-hydrochlorid
| Molecular Formula | C10H19ClN2O5 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 0.4931 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.09824 |
| Heavy Atoms | 18 |
| Complexity | 289.4416 |
Chemical Identifiers
| CAS Number | 81786-31-4 |
|---|---|
| SMILES | CCN(CC)[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-].Cl |
Product Overview
2-Chloro-N-isobutyl-acetamide (CAS 81786-31-4), with molecular formula C10H19ClN2O5 and molecular weight 282.10 g/mol. IUPAC: [(3S,3aR,6S,6aS)-3-(diethylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;hydrochloride.
Chemical Property Profile of 2-Chloro-N-isobutyl-acetamide
Property Insights of 2-Chloro-N-isobutyl-acetamide
The XLogP value of 0.4931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-N-isobutyl-acetamide. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-N-isobutyl-acetamide. Following Lipinski's Rule of Five, 2-Chloro-N-isobutyl-acetamide has 0 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 2-Chloro-N-isobutyl-acetamide?
The CAS number of 2-Chloro-N-isobutyl-acetamide is 81786-31-4.
What is the molecular formula of 2-Chloro-N-isobutyl-acetamide?
The molecular formula of 2-Chloro-N-isobutyl-acetamide is C10H19ClN2O5.
What is the molecular weight of 2-Chloro-N-isobutyl-acetamide?
The molecular weight of 2-Chloro-N-isobutyl-acetamide is 282.10 g/mol.
Where can I buy 2-Chloro-N-isobutyl-acetamide?
You can request a quote for 2-Chloro-N-isobutyl-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-N-isobutyl-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-N-isobutyl-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.