![3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/401/401815-56-3.png)
3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 401815-56-3) is a chemical compound with molecular formula C18H12BrN3O3 and molecular weight 397.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-5H-pyrimido[5,4-b]indol-4-one, 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-8-bromo-3H-pyrimido[5,4-b]indol-4(5H)-one
| Molecular Formula | C18H12BrN3O3 |
|---|---|
| Molecular Weight | 397.01 g/mol |
| LogP | 3.4173 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.0062 |
| Heavy Atoms | 25 |
| Complexity | 1195.5796 |
Chemical Identifiers
| CAS Number | 401815-56-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)NC5=C4C=C(C=C5)Br |
Product Overview
3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 401815-56-3), with molecular formula C18H12BrN3O3 and molecular weight 397.01 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.4173 indicates that 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 4 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 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 401815-56-3.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C18H12BrN3O3.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 397.01 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethyl)-8-bromo-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.