UPCMLD0ENAT5731330:001
TL;DR: UPCMLD0ENAT5731330:001 (CAS 384373-83-5) is a chemical compound with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate
Also Known As: UPCMLD0ENAT5731330:001, BAS 03819147, AB00394511-04, AB00394511-10, [1,3-Dimethyl-2,6-dioxo-7-(3-phenyl-propyl)-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl]-acetic acid methyl ester
| Molecular Formula | C19H22N4O4S |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.13617 |
| Heavy Atoms | 28 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 384373-83-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)OC)CCCC3=CC=CC=C3 |
| InChIKey | ZYPLSTNHBYPYBA-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5731330:001 (CAS 384373-83-5), with molecular formula C19H22N4O4S and molecular weight 402.14 g/mol. IUPAC: methyl 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate.
Chemical Property Profile of UPCMLD0ENAT5731330:001
Property Insights of UPCMLD0ENAT5731330:001
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5731330:001. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5731330:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5731330:001 has 0 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 UPCMLD0ENAT5731330:001?
The CAS number of UPCMLD0ENAT5731330:001 is 384373-83-5.
What is the molecular formula of UPCMLD0ENAT5731330:001?
The molecular formula of UPCMLD0ENAT5731330:001 is C19H22N4O4S.
What is the molecular weight of UPCMLD0ENAT5731330:001?
The molecular weight of UPCMLD0ENAT5731330:001 is 402.14 g/mol.
Where can I buy UPCMLD0ENAT5731330:001?
You can request a quote for UPCMLD0ENAT5731330:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5731330:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5731330:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.