ChemDiv3_007845
TL;DR: ChemDiv3_007845 (CAS 536712-44-4) is a chemical compound with molecular formula C24H23ClN4O2S and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one
Also Known As: ChemDiv3_007845, IDI1_025755, BRD-K59100014-001-01-5, 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(3-chlorophenyl)-3H,4H,5H-pyrimido[5,4-b]indol-4-one, F0580-0755
| Molecular Formula | C24H23ClN4O2S |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 5.0151 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.12302 |
| Heavy Atoms | 32 |
| Complexity | 1355.3778 |
Chemical Identifiers
| CAS Number | 536712-44-4 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)Cl)NC5=CC=CC=C53 |
Product Overview
ChemDiv3_007845 (CAS 536712-44-4), with molecular formula C24H23ClN4O2S and molecular weight 466.12 g/mol. IUPAC: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chlorophenyl)-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of ChemDiv3_007845
Property Insights of ChemDiv3_007845
The XLogP value of 5.0151 indicates that ChemDiv3_007845 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007845. Following Lipinski's Rule of Five, ChemDiv3_007845 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_007845?
The CAS number of ChemDiv3_007845 is 536712-44-4.
What is the molecular formula of ChemDiv3_007845?
The molecular formula of ChemDiv3_007845 is C24H23ClN4O2S.
What is the molecular weight of ChemDiv3_007845?
The molecular weight of ChemDiv3_007845 is 466.12 g/mol.
Where can I buy ChemDiv3_007845?
You can request a quote for ChemDiv3_007845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007845?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.