UPCMLD0ENAT5858173:001
TL;DR: UPCMLD0ENAT5858173:001 (CAS 714939-85-2) is a chemical compound with molecular formula C27H28N6O3S and molecular weight 516.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione
Also Known As: UPCMLD0ENAT5858173:001, 7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-8-(4-benzylpiperidin-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, AB00668496-01, F0570-0065, 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C27H28N6O3S |
|---|---|
| Molecular Weight | 516.19 g/mol |
| LogP | 3.8159 |
| Topological Polar Surface Area | 101.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.19434 |
| Heavy Atoms | 37 |
| Complexity | 1627.8638 |
Chemical Identifiers
| CAS Number | 714939-85-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CCSC5=NC6=CC=CC=C6O5 |
Product Overview
UPCMLD0ENAT5858173:001 (CAS 714939-85-2), with molecular formula C27H28N6O3S and molecular weight 516.19 g/mol. IUPAC: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-(4-benzylpiperidin-1-yl)-3-methylpurine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5858173:001
Property Insights of UPCMLD0ENAT5858173:001
The XLogP value of 3.8159 indicates that UPCMLD0ENAT5858173:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.95 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5858173:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5858173:001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5858173:001?
The CAS number of UPCMLD0ENAT5858173:001 is 714939-85-2.
What is the molecular formula of UPCMLD0ENAT5858173:001?
The molecular formula of UPCMLD0ENAT5858173:001 is C27H28N6O3S.
What is the molecular weight of UPCMLD0ENAT5858173:001?
The molecular weight of UPCMLD0ENAT5858173:001 is 516.19 g/mol.
Where can I buy UPCMLD0ENAT5858173:001?
You can request a quote for UPCMLD0ENAT5858173:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5858173:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5858173:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.