2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate
TL;DR: 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate (CAS 901-36-0) is a chemical compound with molecular formula C21H16Br2O4 and molecular weight 489.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] naphthalene-1-carboxylate
Also Known As: 2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate, [2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] naphthalene, [2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] naphthalene-1-carboxylate, 1-Naphthalenecarboxylicacid, 2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl ester, 2-Bromo-1-(6-bromo-2H-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate
| Molecular Formula | C21H16Br2O4 |
|---|---|
| Molecular Weight | 489.94 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.94153 |
| Heavy Atoms | 27 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 901-36-0 |
|---|---|
| SMILES | CC(C(C1=CC2=C(C=C1Br)OCO2)OC(=O)C3=CC=CC4=CC=CC=C43)Br |
| InChIKey | GEJXKMLDJJULNO-UHFFFAOYSA-N |
Product Overview
2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate (CAS 901-36-0), with molecular formula C21H16Br2O4 and molecular weight 489.94 g/mol. IUPAC: [2-bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl] naphthalene-1-carboxylate.
Chemical Property Profile of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate
Property Insights of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate
The XLogP value of 6.3 indicates that 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate?
The CAS number of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate is 901-36-0.
What is the molecular formula of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate?
The molecular formula of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate is C21H16Br2O4.
What is the molecular weight of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate?
The molecular weight of 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate is 489.94 g/mol.
Where can I buy 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate?
You can request a quote for 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(6-bromo-1,3-benzodioxol-5-yl)propyl naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.