RefChem:1066159
TL;DR: RefChem:1066159 (CAS 87255-64-9) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4,7,7-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
Also Known As: 3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-3,5,5-trimethyl-, (+-)-, (Z)-2-butenedioate (1:1), RefChem:1066159
| Molecular Formula | C22H26N2O5 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 3.3423 |
| Topological Polar Surface Area | 99.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.18417 |
| Heavy Atoms | 29 |
| Complexity | 986.04144 |
Chemical Identifiers
| CAS Number | 87255-64-9 |
|---|---|
| SMILES | CC1(CC2C3=C(CCN2C)C4=CC=CC=C4N3C(=O)C1)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1066159 (CAS 87255-64-9), with molecular formula C22H26N2O5 and molecular weight 398.18 g/mol. IUPAC: (E)-but-2-enedioic acid;4,7,7-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one.
Chemical Property Profile of RefChem:1066159
Property Insights of RefChem:1066159
The XLogP value of 3.3423 indicates that RefChem:1066159 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:1066159. Following Lipinski's Rule of Five, RefChem:1066159 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:1066159?
The CAS number of RefChem:1066159 is 87255-64-9.
What is the molecular formula of RefChem:1066159?
The molecular formula of RefChem:1066159 is C22H26N2O5.
What is the molecular weight of RefChem:1066159?
The molecular weight of RefChem:1066159 is 398.18 g/mol.
Where can I buy RefChem:1066159?
You can request a quote for RefChem:1066159 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066159?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066159 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.