UPCMLD0ENAT5788614:001
TL;DR: UPCMLD0ENAT5788614:001 (CAS 796876-98-7) is a chemical compound with molecular formula C19H24N4O3S and molecular weight 388.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5788614:001, BAS 05968858, 7-(2-Ethoxy-ethyl)-3-methyl-8-(3-phenyl-propylsulfanyl)-3,7-dihydro-purine-2,6-dione, 7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione, 7-(2-ethoxyethyl)-3-methyl-8-((3-phenylpropyl)thio)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H24N4O3S |
|---|---|
| Molecular Weight | 388.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.15692 |
| Heavy Atoms | 27 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 796876-98-7 |
|---|---|
| SMILES | CCOCCN1C2=C(N=C1SCCCC3=CC=CC=C3)N(C(=O)NC2=O)C |
| InChIKey | DNROKXMFIBSJCT-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5788614:001 (CAS 796876-98-7), with molecular formula C19H24N4O3S and molecular weight 388.16 g/mol. IUPAC: 7-(2-ethoxyethyl)-3-methyl-8-(3-phenylpropylsulfanyl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5788614:001
Property Insights of UPCMLD0ENAT5788614:001
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5788614:001. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5788614:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5788614:001 has 1 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5788614:001?
The CAS number of UPCMLD0ENAT5788614:001 is 796876-98-7.
What is the molecular formula of UPCMLD0ENAT5788614:001?
The molecular formula of UPCMLD0ENAT5788614:001 is C19H24N4O3S.
What is the molecular weight of UPCMLD0ENAT5788614:001?
The molecular weight of UPCMLD0ENAT5788614:001 is 388.16 g/mol.
Where can I buy UPCMLD0ENAT5788614:001?
You can request a quote for UPCMLD0ENAT5788614:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5788614:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5788614:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.