RefChem:1066163
TL;DR: RefChem:1066163 (CAS 87255-69-4) is a chemical compound with molecular formula C28H30N2O5 and molecular weight 474.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-8,8-dimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one;(E)-but-2-enedioic acid
Also Known As: 3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-6,6-dimethyl-3-(phenylmethyl)-, (+-)-, (Z)-2-butenedioate (1:1), RefChem:1066163
| Molecular Formula | C28H30N2O5 |
|---|---|
| Molecular Weight | 474.22 g/mol |
| LogP | 4.9127 |
| Topological Polar Surface Area | 99.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.21548 |
| Heavy Atoms | 35 |
| Complexity | 1273.4249 |
Chemical Identifiers
| CAS Number | 87255-69-4 |
|---|---|
| SMILES | CC1(CCC2C3=C(CCN2CC4=CC=CC=C4)C5=CC=CC=C5N3C1=O)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1066163 (CAS 87255-69-4), with molecular formula C28H30N2O5 and molecular weight 474.22 g/mol. IUPAC: 4-benzyl-8,8-dimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1066163
Property Insights of RefChem:1066163
The XLogP value of 4.9127 indicates that RefChem:1066163 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066163. Following Lipinski's Rule of Five, RefChem:1066163 has 2 hydrogen bond donor(s) and 4 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 RefChem:1066163?
The CAS number of RefChem:1066163 is 87255-69-4.
What is the molecular formula of RefChem:1066163?
The molecular formula of RefChem:1066163 is C28H30N2O5.
What is the molecular weight of RefChem:1066163?
The molecular weight of RefChem:1066163 is 474.22 g/mol.
Where can I buy RefChem:1066163?
You can request a quote for RefChem:1066163 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066163?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066163 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.