U 88779E
TL;DR: U 88779E (CAS 149539-01-5) is a chemical compound with molecular formula C31H41ClN2O8S2 and molecular weight 668.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one;methanesulfonic acid
Also Known As: U 88779E, U-88779E, 1-((4-Chlorophenyl-phenyl)methyl)-4-((7-methoxy-5-isopropyl-2,4,6-cycloheptatrien-1-one)-2-methyl)piperazine, 2,4,6-Cycloheptatrien-1-one, 7-((4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)methyl)-2-methoxy-4-(1-methylethyl)-, dimethanesulfonate, 7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one;methanesulfonic acid
| Molecular Formula | C31H41ClN2O8S2 |
|---|---|
| Molecular Weight | 668.20 g/mol |
| LogP | 4.7474 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 668.1993 |
| Heavy Atoms | 44 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 149539-01-5 |
|---|---|
| SMILES | CC(C)C1=CC=C(C(=O)C(=C1)OC)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | RUGDKIWFGDLRNR-UHFFFAOYSA-N |
Product Overview
U 88779E (CAS 149539-01-5), with molecular formula C31H41ClN2O8S2 and molecular weight 668.20 g/mol. IUPAC: 7-[[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]methyl]-2-methoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one;methanesulfonic acid.
Chemical Property Profile of U 88779E
Property Insights of U 88779E
The XLogP value of 4.7474 indicates that U 88779E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting U 88779E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, U 88779E has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of U 88779E?
The CAS number of U 88779E is 149539-01-5.
What is the molecular formula of U 88779E?
The molecular formula of U 88779E is C31H41ClN2O8S2.
What is the molecular weight of U 88779E?
The molecular weight of U 88779E is 668.20 g/mol.
Where can I buy U 88779E?
You can request a quote for U 88779E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for U 88779E?
Yes, KEHONG BIO provides custom synthesis services for U 88779E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.