UPCMLD0ENAT5843116:001
TL;DR: UPCMLD0ENAT5843116:001 (CAS 476482-76-5) is a chemical compound with molecular formula C21H23N7O4S and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
Also Known As: UPCMLD0ENAT5843116:001, 1-(7-(2-(benzo[d]oxazol-2-ylthio)ethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidine-4-carboxamide, AB00674015-01, 1-{7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperidine-4-carboxamide, F1342-0091
| Molecular Formula | C21H23N7O4S |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 1.0585 |
| Topological Polar Surface Area | 145.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.15323 |
| Heavy Atoms | 33 |
| Complexity | 1426.0682 |
Chemical Identifiers
| CAS Number | 476482-76-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CCSC4=NC5=CC=CC=C5O4 |
Product Overview
UPCMLD0ENAT5843116:001 (CAS 476482-76-5), with molecular formula C21H23N7O4S and molecular weight 469.15 g/mol. IUPAC: 1-[7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5843116:001
Property Insights of UPCMLD0ENAT5843116:001
The XLogP value of 1.0585 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5843116:001. The TPSA of 145.04 Ų indicates high polarity, suggesting UPCMLD0ENAT5843116:001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, UPCMLD0ENAT5843116:001 has 2 hydrogen bond donor(s) and 8 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 UPCMLD0ENAT5843116:001?
The CAS number of UPCMLD0ENAT5843116:001 is 476482-76-5.
What is the molecular formula of UPCMLD0ENAT5843116:001?
The molecular formula of UPCMLD0ENAT5843116:001 is C21H23N7O4S.
What is the molecular weight of UPCMLD0ENAT5843116:001?
The molecular weight of UPCMLD0ENAT5843116:001 is 469.15 g/mol.
Where can I buy UPCMLD0ENAT5843116:001?
You can request a quote for UPCMLD0ENAT5843116:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5843116:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5843116:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.