![3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one structure](/static/products/5367/536714-22-4.webp)
3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
TL;DR: 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536714-22-4) is a chemical compound with molecular formula C23H15Cl2N3OS and molecular weight 451.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0844, 2-((2-chlorobenzyl)thio)-3-(3-chlorophenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(3-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C23H15Cl2N3OS |
|---|---|
| Molecular Weight | 451.03 g/mol |
| LogP | 6.4661 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.03128 |
| Heavy Atoms | 30 |
| Complexity | 1458.3711 |
Chemical Identifiers
| CAS Number | 536714-22-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53)Cl |
Product Overview
3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one (CAS 536714-22-4), with molecular formula C23H15Cl2N3OS and molecular weight 451.03 g/mol. IUPAC: 3-(3-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
Property Insights of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one
The XLogP value of 6.4661 indicates that 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,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, 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The CAS number of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 536714-22-4.
What is the molecular formula of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular formula of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is C23H15Cl2N3OS.
What is the molecular weight of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
The molecular weight of 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one is 451.03 g/mol.
Where can I buy 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
You can request a quote for 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,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 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-chlorophenyl)-2-{[(2-chlorophenyl)methyl]sulfanyl}-3H,4H,5H-pyrimido[5,4-b]indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.