![3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/836/836641-79-3.png)
3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 836641-79-3) is a chemical compound with molecular formula C20H28N4O3 and molecular weight 372.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[di(propan-2-yl)amino]ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-[2-(dipropan-2-ylamino)ethyl]-7,8-dimethoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 3-[2-[di(propan-2-yl)amino]ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one, REGID_for_CID_661884
| Molecular Formula | C20H28N4O3 |
|---|---|
| Molecular Weight | 372.22 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.21616 |
| Heavy Atoms | 27 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 836641-79-3 |
|---|---|
| SMILES | CC(C)N(CCN1C=NC2=C(C1=O)NC3=CC(=C(C=C32)OC)OC)C(C)C |
| InChIKey | KVJGBGVNZWWJBF-UHFFFAOYSA-N |
Product Overview
3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 836641-79-3), with molecular formula C20H28N4O3 and molecular weight 372.22 g/mol. IUPAC: 3-[2-[di(propan-2-yl)amino]ethyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one has 1 hydrogen bond donor(s) and 5 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-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 836641-79-3.
What is the molecular formula of 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is C20H28N4O3.
What is the molecular weight of 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one is 372.22 g/mol.
Where can I buy 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-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 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(diisopropylamino)ethyl)-7,8-dimethoxy-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.