1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate
TL;DR: 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate (CAS 444908-01-4) is a chemical compound with molecular formula C14H17Cl2NO3 and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate
Also Known As: 1,3-dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate, 2-chloro-1-(chloromethyl)ethyl 4-(benzylamino)-4-oxobutanoate
| Molecular Formula | C14H17Cl2NO3 |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 2.4724 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.05856 |
| Heavy Atoms | 20 |
| Complexity | 421.687 |
Chemical Identifiers
| CAS Number | 444908-01-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CCC(=O)OC(CCl)CCl |
Product Overview
1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate (CAS 444908-01-4), with molecular formula C14H17Cl2NO3 and molecular weight 317.06 g/mol. IUPAC: 1,3-dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate.
Chemical Property Profile of 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate
Property Insights of 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate
The XLogP value of 2.4724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate. With a topological polar surface area (TPSA) of 55.4 Ų, 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate 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 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate?
The CAS number of 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate is 444908-01-4.
What is the molecular formula of 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate?
The molecular formula of 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate is C14H17Cl2NO3.
What is the molecular weight of 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate?
The molecular weight of 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate is 317.06 g/mol.
Where can I buy 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate?
You can request a quote for 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dichloropropan-2-yl 4-(benzylamino)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.