UPCMLD0ENAT5966900:001
TL;DR: UPCMLD0ENAT5966900:001 (CAS 850461-53-9) 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-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide
Also Known As: UPCMLD0ENAT5966900:001, 2-{[3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-(1-cyanocyclohexyl)propanamide, 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide, 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide
| Molecular Formula | C24H23ClN4O2S |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 4.86238 |
| Topological Polar Surface Area | 87.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.12302 |
| Heavy Atoms | 32 |
| Complexity | 1260.8243 |
Chemical Identifiers
| CAS Number | 850461-53-9 |
|---|---|
| SMILES | CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC(=CC=C4)Cl |
Product Overview
UPCMLD0ENAT5966900:001 (CAS 850461-53-9), with molecular formula C24H23ClN4O2S and molecular weight 466.12 g/mol. IUPAC: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide.
Chemical Property Profile of UPCMLD0ENAT5966900:001
Property Insights of UPCMLD0ENAT5966900:001
The XLogP value of 4.86238 indicates that UPCMLD0ENAT5966900:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.78 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5966900:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5966900:001 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 UPCMLD0ENAT5966900:001?
The CAS number of UPCMLD0ENAT5966900:001 is 850461-53-9.
What is the molecular formula of UPCMLD0ENAT5966900:001?
The molecular formula of UPCMLD0ENAT5966900:001 is C24H23ClN4O2S.
What is the molecular weight of UPCMLD0ENAT5966900:001?
The molecular weight of UPCMLD0ENAT5966900:001 is 466.12 g/mol.
Where can I buy UPCMLD0ENAT5966900:001?
You can request a quote for UPCMLD0ENAT5966900:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5966900:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5966900:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.