3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)
TL;DR: 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) (CAS 77694-17-8) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-5,5-dimethyloxolan-2-one;hydrochloride
Also Known As: Dihydro-5,5-dimethyl-3-((phenylmethyl)amino)-2(3H)-furanone hydrochloride, 3-(benzylamino)-5,5-dimethyloxolan-2-one,hydrochloride, 2(3H)-Furanone, dihydro-5,5-dimethyl-3-((phenylmethyl)amino)-, hydrochloride, 3-(benzylamino)-5,5-dimethyloxolan-2-one hydrochloride, 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.2921 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 378.26566 |
Chemical Identifiers
| CAS Number | 77694-17-8 |
|---|---|
| SMILES | CC1(CC(C(=O)O1)NCC2=CC=CC=C2)C.Cl |
Product Overview
3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) (CAS 77694-17-8), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: 3-(benzylamino)-5,5-dimethyloxolan-2-one;hydrochloride.
Chemical Property Profile of 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)
Property Insights of 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)
The XLogP value of 2.2921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 38.33 Ų, 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) has 1 hydrogen bond donor(s) and 3 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 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)?
The CAS number of 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) is 77694-17-8.
What is the molecular formula of 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)?
The molecular formula of 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) is C13H18ClNO2.
What is the molecular weight of 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)?
The molecular weight of 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) is 255.10 g/mol.
Where can I buy 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)?
You can request a quote for 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylamino)-5,5-dimethyloxolan-2-one--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.