UPCMLD0ENAT5836653:001
TL;DR: UPCMLD0ENAT5836653:001 (CAS 674359-47-8) is a chemical compound with molecular formula C26H27N7O3S and molecular weight 517.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione
Also Known As: UPCMLD0ENAT5836653:001, AB00675508-01, F1614-0060, 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione, 7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-8-(4-phenylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C26H27N7O3S |
|---|---|
| Molecular Weight | 517.19 g/mol |
| LogP | 3.0735 |
| Topological Polar Surface Area | 105.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.18964 |
| Heavy Atoms | 37 |
| Complexity | 1629.8926 |
Chemical Identifiers
| CAS Number | 674359-47-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCCSC5=NC6=CC=CC=C6O5 |
Product Overview
UPCMLD0ENAT5836653:001 (CAS 674359-47-8), with molecular formula C26H27N7O3S and molecular weight 517.19 g/mol. IUPAC: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of UPCMLD0ENAT5836653:001
Property Insights of UPCMLD0ENAT5836653:001
The XLogP value of 3.0735 indicates that UPCMLD0ENAT5836653:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.19 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5836653:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5836653:001 has 1 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 UPCMLD0ENAT5836653:001?
The CAS number of UPCMLD0ENAT5836653:001 is 674359-47-8.
What is the molecular formula of UPCMLD0ENAT5836653:001?
The molecular formula of UPCMLD0ENAT5836653:001 is C26H27N7O3S.
What is the molecular weight of UPCMLD0ENAT5836653:001?
The molecular weight of UPCMLD0ENAT5836653:001 is 517.19 g/mol.
Where can I buy UPCMLD0ENAT5836653:001?
You can request a quote for UPCMLD0ENAT5836653:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5836653:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5836653:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.