![3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one structure](/static/products/877/877646-16-7.png)
3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 877646-16-7) is a chemical compound with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-butoxypropyl)-9-chloro-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-butoxypropyl)-9-chloro-5H-pyrimido[5,4-b]indol-4-one, 3-(3-butoxypropyl)-9-chloro-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C17H20ClN3O2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 3.738 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.1244 |
| Heavy Atoms | 23 |
| Complexity | 869.2678 |
Chemical Identifiers
| CAS Number | 877646-16-7 |
|---|---|
| SMILES | CCCCOCCCN1C=NC2=C(C1=O)NC3=C2C(=CC=C3)Cl |
Product Overview
3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one (CAS 877646-16-7), with molecular formula C17H20ClN3O2 and molecular weight 333.12 g/mol. IUPAC: 3-(3-butoxypropyl)-9-chloro-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
The XLogP value of 3.738 indicates that 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 3 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)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 877646-16-7.
What is the molecular formula of 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is C17H20ClN3O2.
What is the molecular weight of 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one is 333.12 g/mol.
Where can I buy 3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3-butoxypropyl)-9-chloro-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)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-butoxypropyl)-9-chloro-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.