![9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one structure](/static/products/849/849002-24-0.png)
9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
TL;DR: 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one (CAS 849002-24-0) is a chemical compound with molecular formula C18H18ClN3O and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one, 9-chloro-3-(2-(cyclohex-1-en-1-yl)ethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 9-chloro-3-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C18H18ClN3O |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 4.4217 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.11383 |
| Heavy Atoms | 23 |
| Complexity | 967.4571 |
Chemical Identifiers
| CAS Number | 849002-24-0 |
|---|---|
| SMILES | C1CCC(=CC1)CCN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl |
Product Overview
9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one (CAS 849002-24-0), with molecular formula C18H18ClN3O and molecular weight 327.11 g/mol. IUPAC: 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
Property Insights of 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 4.4217 indicates that 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-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 50.68 Ų, 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 2 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 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one is 849002-24-0.
What is the molecular formula of 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one is C18H18ClN3O.
What is the molecular weight of 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one is 327.11 g/mol.
Where can I buy 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-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 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-3-[2-(cyclohexen-1-yl)ethyl]-5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.