![3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/862/862116-49-2.png)
3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 862116-49-2) is a chemical compound with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-butoxypropyl)-7-methoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-butoxypropyl)-7-methoxy-5H-pyrimido[5,4-b]indol-4-one, 3-(3-butoxypropyl)-7-methoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H23N3O3 |
|---|---|
| Molecular Weight | 329.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.17395 |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 862116-49-2 |
|---|---|
| SMILES | CCCCOCCCN1C=NC2=C(C1=O)NC3=C2C=CC(=C3)OC |
| InChIKey | POLZYQRLHSLYJP-UHFFFAOYSA-N |
Product Overview
3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 862116-49-2), with molecular formula C18H23N3O3 and molecular weight 329.17 g/mol. IUPAC: 3-(3-butoxypropyl)-7-methoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one. Following Lipinski's Rule of Five, 3-(3-butoxypropyl)-7-methoxy-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-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 862116-49-2.
What is the molecular formula of 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C18H23N3O3.
What is the molecular weight of 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 329.17 g/mol.
Where can I buy 3-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3-butoxypropyl)-7-methoxy-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-(3-butoxypropyl)-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-butoxypropyl)-7-methoxy-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.