EINECS 260-251-9
TL;DR: EINECS 260-251-9 (CAS 56532-85-5) is a chemical compound with molecular formula C23H30N6O4 and molecular weight 454.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate
Also Known As: EINECS 260-251-9, 5-26-14-00059 (Beilstein Handbook Reference), 1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7h-purin-7-yl)propan-2-yl acetate, Theophylline, 7-(2-acetoxy-3-(4-benzyl-1-piperazinyl)propyl)-, 1-Piperazineethanol, 4-benzyl-alpha-(1,3-dimethyl-7-xanthinylmethyl)-, acetate (ester)
| Molecular Formula | C23H30N6O4 |
|---|---|
| Molecular Weight | 454.23 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 91.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.23285 |
| Heavy Atoms | 33 |
| Complexity | 722.0 |
Chemical Identifiers
| CAS Number | 56532-85-5 |
|---|---|
| SMILES | CC(=O)OC(CN1CCN(CC1)CC2=CC=CC=C2)CN3C=NC4=C3C(=O)N(C(=O)N4C)C |
| InChIKey | YCKLTJXYMIFEAV-UHFFFAOYSA-N |
Product Overview
EINECS 260-251-9 (CAS 56532-85-5), with molecular formula C23H30N6O4 and molecular weight 454.23 g/mol. IUPAC: [1-(4-benzylpiperazin-1-yl)-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propan-2-yl] acetate.
Chemical Property Profile of EINECS 260-251-9
Property Insights of EINECS 260-251-9
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 260-251-9. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 260-251-9. Following Lipinski's Rule of Five, EINECS 260-251-9 has 0 hydrogen bond donor(s) and 7 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 EINECS 260-251-9?
The CAS number of EINECS 260-251-9 is 56532-85-5.
What is the molecular formula of EINECS 260-251-9?
The molecular formula of EINECS 260-251-9 is C23H30N6O4.
What is the molecular weight of EINECS 260-251-9?
The molecular weight of EINECS 260-251-9 is 454.23 g/mol.
Where can I buy EINECS 260-251-9?
You can request a quote for EINECS 260-251-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 260-251-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 260-251-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.