BRD-K51652730-001-01-6
TL;DR: BRD-K51652730-001-01-6 (CAS 548778-95-6) is a chemical compound with molecular formula C25H24N2O6 and molecular weight 448.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
Also Known As: BRD-K51652730-001-01-6, (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one, (2E,2'E)-1,1'-(1,4-diazepane-1,4-diyl)bis[3-(1,3-benzodioxol-5-yl)prop-2-en-1-one], (2E)-1-[4-((2E)-3-(2H-benzo[d]1,3-dioxolan-5-yl)prop-2-enoyl)(1,4-diazaperhydr oepinyl)]-3-(2H-benzo[d]1,3-dioxolan-5-yl)prop-2-en-1-one
| Molecular Formula | C25H24N2O6 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 2.9315 |
| Topological Polar Surface Area | 77.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.16342 |
| Heavy Atoms | 33 |
| Complexity | 1038.3754 |
Chemical Identifiers
| CAS Number | 548778-95-6 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)/C=C/C2=CC3=C(OCO3)C=C2)C(=O)/C=C/C4=CC5=C(OCO5)C=C4 |
Product Overview
BRD-K51652730-001-01-6 (CAS 548778-95-6), with molecular formula C25H24N2O6 and molecular weight 448.16 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one.
Chemical Property Profile of BRD-K51652730-001-01-6
Property Insights of BRD-K51652730-001-01-6
The XLogP value of 2.9315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K51652730-001-01-6. The TPSA of 77.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BRD-K51652730-001-01-6. Following Lipinski's Rule of Five, BRD-K51652730-001-01-6 has 0 hydrogen bond donor(s) and 6 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 BRD-K51652730-001-01-6?
The CAS number of BRD-K51652730-001-01-6 is 548778-95-6.
What is the molecular formula of BRD-K51652730-001-01-6?
The molecular formula of BRD-K51652730-001-01-6 is C25H24N2O6.
What is the molecular weight of BRD-K51652730-001-01-6?
The molecular weight of BRD-K51652730-001-01-6 is 448.16 g/mol.
Where can I buy BRD-K51652730-001-01-6?
You can request a quote for BRD-K51652730-001-01-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K51652730-001-01-6?
Yes, KEHONG BIO provides custom synthesis services for BRD-K51652730-001-01-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.