UPCMLD0ENAT5831785:001
TL;DR: UPCMLD0ENAT5831785:001 (CAS 672344-58-0) is a chemical compound with molecular formula C23H27N7O5S and molecular weight 513.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate
Also Known As: UPCMLD0ENAT5831785:001, F1614-0091, ethyl 4-(7-(3-(benzo[d]oxazol-2-ylthio)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carboxylate, ethyl 4-[7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate, ethyl 4-{7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}piperazine-1-carboxylate
| Molecular Formula | C23H27N7O5S |
|---|---|
| Molecular Weight | 513.18 g/mol |
| LogP | 2.0254 |
| Topological Polar Surface Area | 131.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.17944 |
| Heavy Atoms | 36 |
| Complexity | 1479.8462 |
Chemical Identifiers
| CAS Number | 672344-58-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC3=C(N2CCCSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C |
Product Overview
UPCMLD0ENAT5831785:001 (CAS 672344-58-0), with molecular formula C23H27N7O5S and molecular weight 513.18 g/mol. IUPAC: ethyl 4-[7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5831785:001
Property Insights of UPCMLD0ENAT5831785:001
The XLogP value of 2.0254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5831785:001. The TPSA of 131.49 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5831785:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5831785:001 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5831785:001?
The CAS number of UPCMLD0ENAT5831785:001 is 672344-58-0.
What is the molecular formula of UPCMLD0ENAT5831785:001?
The molecular formula of UPCMLD0ENAT5831785:001 is C23H27N7O5S.
What is the molecular weight of UPCMLD0ENAT5831785:001?
The molecular weight of UPCMLD0ENAT5831785:001 is 513.18 g/mol.
Where can I buy UPCMLD0ENAT5831785:001?
You can request a quote for UPCMLD0ENAT5831785:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5831785:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5831785:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.