3P-095
TL;DR: 3P-095 (CAS 318466-07-8) is a chemical compound with molecular formula C27H35NO8 and molecular weight 501.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-tert-butyl 1-O,1-O-diethyl 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]ethane-1,1,2-tricarboxylate
Also Known As: 3P-095, 2-(tert-butyl) 1,1-diethyl 2-{[4-(4-methoxyphenoxy)benzyl]amino}-1,1,2-ethanetricarboxylate, 2-O-tert-butyl 1-O,1-O-diethyl 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]ethane-1,1,2-tricarboxylate, 1-tert-butyl 2,2-diethyl 1-({[4-(4-methoxyphenoxy)phenyl]methyl}amino)ethane-1,2,2-tricarboxylate, 1,1-diethyl 2-tert-butyl 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]ethane-1,1,2-tricarboxylate
| Molecular Formula | C27H35NO8 |
|---|---|
| Molecular Weight | 501.24 g/mol |
| LogP | 4.0298 |
| Topological Polar Surface Area | 109.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 501.23627 |
| Heavy Atoms | 36 |
| Complexity | 977.9289 |
Chemical Identifiers
| CAS Number | 318466-07-8 |
|---|---|
| SMILES | CCOC(=O)C(C(C(=O)OC(C)(C)C)NCC1=CC=C(C=C1)OC2=CC=C(C=C2)OC)C(=O)OCC |
Product Overview
3P-095 (CAS 318466-07-8), with molecular formula C27H35NO8 and molecular weight 501.24 g/mol. IUPAC: 2-O-tert-butyl 1-O,1-O-diethyl 2-[[4-(4-methoxyphenoxy)phenyl]methylamino]ethane-1,1,2-tricarboxylate.
Chemical Property Profile of 3P-095
Property Insights of 3P-095
The XLogP value of 4.0298 indicates that 3P-095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3P-095. Following Lipinski's Rule of Five, 3P-095 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 3P-095?
The CAS number of 3P-095 is 318466-07-8.
What is the molecular formula of 3P-095?
The molecular formula of 3P-095 is C27H35NO8.
What is the molecular weight of 3P-095?
The molecular weight of 3P-095 is 501.24 g/mol.
Where can I buy 3P-095?
You can request a quote for 3P-095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3P-095?
Yes, KEHONG BIO provides custom synthesis services for 3P-095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.