![8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/498/498570-58-4.png)
8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 498570-58-4) is a chemical compound with molecular formula C14H14ClN3O3 and molecular weight 307.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-(2,2-dimethoxyethyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 8-chloro-3-(2,2-dimethoxyethyl)-5H-pyrimido[5,4-b]indol-4-one, 8-chloro-3-(2,2-dimethoxyethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C14H14ClN3O3 |
|---|---|
| Molecular Weight | 307.07 g/mol |
| LogP | 2.1501 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.07236 |
| Heavy Atoms | 21 |
| Complexity | 851.6534 |
Chemical Identifiers
| CAS Number | 498570-58-4 |
|---|---|
| SMILES | COC(CN1C=NC2=C(C1=O)NC3=C2C=C(C=C3)Cl)OC |
Product Overview
8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 498570-58-4), with molecular formula C14H14ClN3O3 and molecular weight 307.07 g/mol. IUPAC: 8-chloro-3-(2,2-dimethoxyethyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.1501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 8-chloro-3-(2,2-dimethoxyethyl)-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 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 498570-58-4.
What is the molecular formula of 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C14H14ClN3O3.
What is the molecular weight of 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 307.07 g/mol.
Where can I buy 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 8-chloro-3-(2,2-dimethoxyethyl)-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 8-chloro-3-(2,2-dimethoxyethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-3-(2,2-dimethoxyethyl)-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.