![(E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one structure](/static/products/840/840462-01-3.png)
(E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
TL;DR: (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840462-01-3) is a chemical compound with molecular formula C23H22ClN5O2 and molecular weight 435.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one, 8-chloro-3-({(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one, 8-chloro-3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C23H22ClN5O2 |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 4.0178 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.1462 |
| Heavy Atoms | 31 |
| Complexity | 1351.5906 |
Chemical Identifiers
| CAS Number | 840462-01-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=N/N2C=NC3=C(C2=O)NC4=C3C=C(C=C4)Cl)CN5CCCC5 |
Product Overview
(E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one (CAS 840462-01-3), with molecular formula C23H22ClN5O2 and molecular weight 435.15 g/mol. IUPAC: 8-chloro-3-[(E)-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methylideneamino]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
Property Insights of (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one
The XLogP value of 4.0178 indicates that (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-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 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one. Following Lipinski's Rule of Five, (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-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 (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The CAS number of (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 840462-01-3.
What is the molecular formula of (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular formula of (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is C23H22ClN5O2.
What is the molecular weight of (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
The molecular weight of (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one is 435.15 g/mol.
Where can I buy (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
You can request a quote for (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-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 (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-chloro-3-((4-methoxy-3-(pyrrolidin-1-ylmethyl)benzylidene)amino)-3H-pyrimido[5,4-b]indol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.