UPCMLD0ENAT5730986:001
TL;DR: UPCMLD0ENAT5730986:001 (CAS 313470-32-5) is a chemical compound with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butan-2-ylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5730986:001, 8-(sec-butylsulfanyl)-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-butan-2-ylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione, 7-[(2-chlorophenyl)methyl]-3-methyl-8-(methylpropylthio)-1,3,7-trihydropurine- 2,6-dione, 8-(butan-2-ylsulfanyl)-7-(2-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H19ClN4O2S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.0156 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.09174 |
| Heavy Atoms | 25 |
| Complexity | 1037.2844 |
Chemical Identifiers
| CAS Number | 313470-32-5 |
|---|---|
| SMILES | CCC(C)SC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)NC(=O)N2C |
Product Overview
UPCMLD0ENAT5730986:001 (CAS 313470-32-5), with molecular formula C17H19ClN4O2S and molecular weight 378.09 g/mol. IUPAC: 8-butan-2-ylsulfanyl-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5730986:001
Property Insights of UPCMLD0ENAT5730986:001
The XLogP value of 3.0156 indicates that UPCMLD0ENAT5730986:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5730986:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5730986:001 has 1 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 UPCMLD0ENAT5730986:001?
The CAS number of UPCMLD0ENAT5730986:001 is 313470-32-5.
What is the molecular formula of UPCMLD0ENAT5730986:001?
The molecular formula of UPCMLD0ENAT5730986:001 is C17H19ClN4O2S.
What is the molecular weight of UPCMLD0ENAT5730986:001?
The molecular weight of UPCMLD0ENAT5730986:001 is 378.09 g/mol.
Where can I buy UPCMLD0ENAT5730986:001?
You can request a quote for UPCMLD0ENAT5730986:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5730986:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5730986:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.