![2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione structure](/static/products/3257/325749-79-9.webp)
2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
TL;DR: 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione (CAS 325749-79-9) is a chemical compound with molecular formula C29H29N3O3 and molecular weight 467.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
Also Known As: 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione, 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl)-4-keto-butyl]benzo[de]isoquinoline-1,3-quinone, 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxidanylidene-butyl]benzo[de]isoquinoline-1,3-dione, 3-(4-{2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indol-5-yl}-4-oxobutyl)-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione, REGID_for_CID_4215797
| Molecular Formula | C29H29N3O3 |
|---|---|
| Molecular Weight | 467.22 g/mol |
| LogP | 4.35892 |
| Topological Polar Surface Area | 60.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.2209 |
| Heavy Atoms | 35 |
| Complexity | 1330.0947 |
Chemical Identifiers
| CAS Number | 325749-79-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3C2CN(CC3)C)C(=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O |
Product Overview
2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione (CAS 325749-79-9), with molecular formula C29H29N3O3 and molecular weight 467.22 g/mol. IUPAC: 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
Property Insights of 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione
The XLogP value of 4.35892 indicates that 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione. Following Lipinski's Rule of Five, 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione has 0 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 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione?
The CAS number of 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione is 325749-79-9.
What is the molecular formula of 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione?
The molecular formula of 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione is C29H29N3O3.
What is the molecular weight of 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione?
The molecular weight of 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione is 467.22 g/mol.
Where can I buy 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione?
You can request a quote for 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl)-4-oxobutyl]benzo[de]isoquinoline-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.