![3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/374/374702-43-9.png)
3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 374702-43-9) is a chemical compound with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(1,3-benzodioxol-5-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one, 3-(1,3-benzodioxol-5-ylmethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, GNF-Pf-3040
| Molecular Formula | C18H13N3O3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 2.6548 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.0957 |
| Heavy Atoms | 24 |
| Complexity | 1143.3748 |
Chemical Identifiers
| CAS Number | 374702-43-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C=NC4=C(C3=O)NC5=CC=CC=C54 |
Product Overview
3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 374702-43-9), with molecular formula C18H13N3O3 and molecular weight 319.10 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.6548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-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-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 374702-43-9.
What is the molecular formula of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C18H13N3O3.
What is the molecular weight of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 319.10 g/mol.
Where can I buy 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzo[d][1,3]dioxol-5-ylmethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.