UPCMLD0ENAT5774771:001
TL;DR: UPCMLD0ENAT5774771:001 (CAS 476482-59-4) is a chemical compound with molecular formula C16H20N6O2S2 and molecular weight 392.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-ylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5774771:001, 3-methyl-7-(2-((4-methylthiazol-2-yl)thio)ethyl)-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-ylpurine-2,6-dione, 3-methyl-7-{2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl}-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione, 3-Methyl-7-(2-((4-methyl-1,3-thiazol-2-YL)sulfanyl)ethyl)-8-(1-pyrrolidinyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H20N6O2S2 |
|---|---|
| Molecular Weight | 392.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.10892 |
| Heavy Atoms | 26 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 476482-59-4 |
|---|---|
| SMILES | CC1=CSC(=N1)SCCN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C |
| InChIKey | FJRJCKDRSFNJRI-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5774771:001 (CAS 476482-59-4), with molecular formula C16H20N6O2S2 and molecular weight 392.11 g/mol. IUPAC: 3-methyl-7-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-8-pyrrolidin-1-ylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5774771:001
Property Insights of UPCMLD0ENAT5774771:001
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5774771:001. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5774771:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5774771:001 has 1 hydrogen bond donor(s) and 7 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 UPCMLD0ENAT5774771:001?
The CAS number of UPCMLD0ENAT5774771:001 is 476482-59-4.
What is the molecular formula of UPCMLD0ENAT5774771:001?
The molecular formula of UPCMLD0ENAT5774771:001 is C16H20N6O2S2.
What is the molecular weight of UPCMLD0ENAT5774771:001?
The molecular weight of UPCMLD0ENAT5774771:001 is 392.11 g/mol.
Where can I buy UPCMLD0ENAT5774771:001?
You can request a quote for UPCMLD0ENAT5774771:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5774771:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5774771:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.