UPCMLD0ENAT5833016:001
TL;DR: UPCMLD0ENAT5833016:001 (CAS 377066-89-2) is a chemical compound with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-phenylethylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5833016:001, 1,3-dimethyl-8-phenethylsulfanyl-7-(3-phenylpropyl)purine-2,6-dione, 1,3-dimethyl-8-[(2-phenylethyl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-(2-phenylethylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione, 1,3-dimethyl-8-[(2-phenylethyl)sulfanyl]-7-(3-phenylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C24H26N4O2S |
|---|---|
| Molecular Weight | 434.18 g/mol |
| LogP | 3.4013 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 434.17764 |
| Heavy Atoms | 31 |
| Complexity | 1290.6514 |
Chemical Identifiers
| CAS Number | 377066-89-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCC3=CC=CC=C3)CCCC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5833016:001 (CAS 377066-89-2), with molecular formula C24H26N4O2S and molecular weight 434.18 g/mol. IUPAC: 1,3-dimethyl-8-(2-phenylethylsulfanyl)-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5833016:001
Property Insights of UPCMLD0ENAT5833016:001
The XLogP value of 3.4013 indicates that UPCMLD0ENAT5833016:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.82 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5833016:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5833016:001 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 UPCMLD0ENAT5833016:001?
The CAS number of UPCMLD0ENAT5833016:001 is 377066-89-2.
What is the molecular formula of UPCMLD0ENAT5833016:001?
The molecular formula of UPCMLD0ENAT5833016:001 is C24H26N4O2S.
What is the molecular weight of UPCMLD0ENAT5833016:001?
The molecular weight of UPCMLD0ENAT5833016:001 is 434.18 g/mol.
Where can I buy UPCMLD0ENAT5833016:001?
You can request a quote for UPCMLD0ENAT5833016:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5833016:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5833016:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.