7T-0229
TL;DR: 7T-0229 (CAS 692732-89-1) is a chemical compound with molecular formula C20H20N4O7 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazin-1-yl]-3-nitrobenzoate
Also Known As: 7T-0229, methyl 4-{4-[(1,3-benzodioxol-5-ylamino)carbonyl]piperazino}-3-nitrobenzenecarboxylate, methyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazin-1-yl]-3-nitrobenzoate, methyl 4-{4-[(2H-1,3-benzodioxol-5-yl)carbamoyl]piperazin-1-yl}-3-nitrobenzoate, Methyl 4-[4-(benzo[1,3]dioxol-5-ylcarbamoyl)piperazin-1-yl]-3-nitro-benzoate
| Molecular Formula | C20H20N4O7 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 2.4642 |
| Topological Polar Surface Area | 123.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.1332 |
| Heavy Atoms | 31 |
| Complexity | 1034.1836 |
Chemical Identifiers
| CAS Number | 692732-89-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-] |
Product Overview
7T-0229 (CAS 692732-89-1), with molecular formula C20H20N4O7 and molecular weight 428.13 g/mol. IUPAC: methyl 4-[4-(1,3-benzodioxol-5-ylcarbamoyl)piperazin-1-yl]-3-nitrobenzoate.
Chemical Property Profile of 7T-0229
Property Insights of 7T-0229
The XLogP value of 2.4642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7T-0229. The TPSA of 123.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 7T-0229. Following Lipinski's Rule of Five, 7T-0229 has 1 hydrogen bond donor(s) and 8 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 7T-0229?
The CAS number of 7T-0229 is 692732-89-1.
What is the molecular formula of 7T-0229?
The molecular formula of 7T-0229 is C20H20N4O7.
What is the molecular weight of 7T-0229?
The molecular weight of 7T-0229 is 428.13 g/mol.
Where can I buy 7T-0229?
You can request a quote for 7T-0229 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7T-0229?
Yes, KEHONG BIO provides custom synthesis services for 7T-0229 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.