2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate
TL;DR: 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate (CAS 387381-45-5) is a chemical compound with molecular formula C16H12ClNO5 and molecular weight 333.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-chlorobenzoate
Also Known As: BAS 07233853, [(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl 2-chlorobenzoate, [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-chlorobenzoate, 2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate, F6609-4213
| Molecular Formula | C16H12ClNO5 |
|---|---|
| Molecular Weight | 333.04 g/mol |
| LogP | 2.8642 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0404 |
| Heavy Atoms | 23 |
| Complexity | 761.88586 |
Chemical Identifiers
| CAS Number | 387381-45-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3Cl |
Product Overview
2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate (CAS 387381-45-5), with molecular formula C16H12ClNO5 and molecular weight 333.04 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-chlorobenzoate.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate
Property Insights of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate
The XLogP value of 2.8642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate has 1 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-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate?
The CAS number of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate is 387381-45-5.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate?
The molecular formula of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate is C16H12ClNO5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate?
The molecular weight of 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate is 333.04 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate?
You can request a quote for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.