UPCMLD0ENAT5830677:001
TL;DR: UPCMLD0ENAT5830677:001 (CAS 674366-29-1) is a chemical compound with molecular formula C20H20N6O2S and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5830677:001, BAS 07401830, 3-Methyl-8-(4-methyl-pyrimidin-2-ylsulfanyl)-7-(3-phenyl-propyl)-3,7-dihydro-purine-2,6-dione, 3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione, 3-methyl-8-(4-methylpyrimidin-2-ylthio)-7-(3-phenylpropyl)-1,3,7-trihydropurin e-2,6-dione
| Molecular Formula | C20H20N6O2S |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.13684 |
| Heavy Atoms | 29 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 674366-29-1 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SC2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C |
| InChIKey | DRTXEKGGXURUTL-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5830677:001 (CAS 674366-29-1), with molecular formula C20H20N6O2S and molecular weight 408.14 g/mol. IUPAC: 3-methyl-8-(4-methylpyrimidin-2-yl)sulfanyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5830677:001
Property Insights of UPCMLD0ENAT5830677:001
The XLogP value of 3.0 indicates that UPCMLD0ENAT5830677:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5830677:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5830677:001 has 1 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT5830677:001?
The CAS number of UPCMLD0ENAT5830677:001 is 674366-29-1.
What is the molecular formula of UPCMLD0ENAT5830677:001?
The molecular formula of UPCMLD0ENAT5830677:001 is C20H20N6O2S.
What is the molecular weight of UPCMLD0ENAT5830677:001?
The molecular weight of UPCMLD0ENAT5830677:001 is 408.14 g/mol.
Where can I buy UPCMLD0ENAT5830677:001?
You can request a quote for UPCMLD0ENAT5830677:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5830677:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5830677:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.