UPCMLD0ENAT5835065:001
TL;DR: UPCMLD0ENAT5835065:001 (CAS 674815-05-5) is a chemical compound with molecular formula C25H30N8O2S and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5835065:001, F1614-0229, 7-(2-((4,6-dimethylpyrimidin-2-yl)thio)ethyl)-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione, 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C25H30N8O2S |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 1.95944 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.22125 |
| Heavy Atoms | 36 |
| Complexity | 1497.082 |
Chemical Identifiers
| CAS Number | 674815-05-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=CC=C5)N(C(=O)N(C3=O)C)C)C |
Product Overview
UPCMLD0ENAT5835065:001 (CAS 674815-05-5), with molecular formula C25H30N8O2S and molecular weight 506.22 g/mol. IUPAC: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5835065:001
Property Insights of UPCMLD0ENAT5835065:001
The XLogP value of 1.95944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5835065:001. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5835065:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5835065:001 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5835065:001?
The CAS number of UPCMLD0ENAT5835065:001 is 674815-05-5.
What is the molecular formula of UPCMLD0ENAT5835065:001?
The molecular formula of UPCMLD0ENAT5835065:001 is C25H30N8O2S.
What is the molecular weight of UPCMLD0ENAT5835065:001?
The molecular weight of UPCMLD0ENAT5835065:001 is 506.22 g/mol.
Where can I buy UPCMLD0ENAT5835065:001?
You can request a quote for UPCMLD0ENAT5835065:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5835065:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5835065:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.