UPCMLD0ENAT5831736:001
TL;DR: UPCMLD0ENAT5831736:001 (CAS 374097-66-2) is a chemical compound with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5831736:001, AB01281398-01, 7-benzyl-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione, 7-benzyl-1,3-dimethyl-8-[(3-phenylpropyl)sulfanyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1,3-dimethyl-7-benzyl-8-(3-phenylpropylthio)-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C23H24N4O2S |
|---|---|
| Molecular Weight | 420.16 g/mol |
| LogP | 3.2069 |
| Topological Polar Surface Area | 61.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.162 |
| Heavy Atoms | 30 |
| Complexity | 1274.0449 |
Chemical Identifiers
| CAS Number | 374097-66-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCCC3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT5831736:001 (CAS 374097-66-2), with molecular formula C23H24N4O2S and molecular weight 420.16 g/mol. IUPAC: 7-benzyl-1,3-dimethyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5831736:001
Property Insights of UPCMLD0ENAT5831736:001
The XLogP value of 3.2069 indicates that UPCMLD0ENAT5831736:001 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 UPCMLD0ENAT5831736:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5831736:001 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 UPCMLD0ENAT5831736:001?
The CAS number of UPCMLD0ENAT5831736:001 is 374097-66-2.
What is the molecular formula of UPCMLD0ENAT5831736:001?
The molecular formula of UPCMLD0ENAT5831736:001 is C23H24N4O2S.
What is the molecular weight of UPCMLD0ENAT5831736:001?
The molecular weight of UPCMLD0ENAT5831736:001 is 420.16 g/mol.
Where can I buy UPCMLD0ENAT5831736:001?
You can request a quote for UPCMLD0ENAT5831736:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5831736:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5831736:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.