![9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/849/849918-91-8.png)
9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 849918-91-8) is a chemical compound with molecular formula C20H18ClN3O3 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 9-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one, 9-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C20H18ClN3O3 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 3.7911 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.10367 |
| Heavy Atoms | 27 |
| Complexity | 1196.4852 |
Chemical Identifiers
| CAS Number | 849918-91-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C=NC3=C(C2=O)NC4=C3C(=CC=C4)Cl)OC |
Product Overview
9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 849918-91-8), with molecular formula C20H18ClN3O3 and molecular weight 383.10 g/mol. IUPAC: 9-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 3.7911 indicates that 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 9-chloro-3-(3,4-dimethoxyphenethyl)-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 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 849918-91-8.
What is the molecular formula of 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H18ClN3O3.
What is the molecular weight of 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one is 383.10 g/mol.
Where can I buy 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 9-chloro-3-(3,4-dimethoxyphenethyl)-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 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-chloro-3-(3,4-dimethoxyphenethyl)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.