RefChem:1066160
TL;DR: RefChem:1066160 (CAS 87255-59-2) is a chemical compound with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;7,7-dimethyl-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-5,5-dimethyl-, (+-)-, (Z)-2-butenedioate (1:1), RefChem:1066160
| Molecular Formula | C21H24N2O5 |
|---|---|
| Molecular Weight | 384.17 g/mol |
| LogP | 3.0001 |
| Topological Polar Surface Area | 108.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.16852 |
| Heavy Atoms | 28 |
| Complexity | 954.5764 |
Chemical Identifiers
| CAS Number | 87255-59-2 |
|---|---|
| SMILES | CC1(CC2C3=C(CCN2)C4=CC=CC=C4N3C(=O)C1)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1066160 (CAS 87255-59-2), with molecular formula C21H24N2O5 and molecular weight 384.17 g/mol. IUPAC: (E)-but-2-enedioic acid;7,7-dimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one.
Chemical Property Profile of RefChem:1066160
Property Insights of RefChem:1066160
The XLogP value of 3.0001 indicates that RefChem:1066160 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.63 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1066160. Following Lipinski's Rule of Five, RefChem:1066160 has 3 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:1066160?
The CAS number of RefChem:1066160 is 87255-59-2.
What is the molecular formula of RefChem:1066160?
The molecular formula of RefChem:1066160 is C21H24N2O5.
What is the molecular weight of RefChem:1066160?
The molecular weight of RefChem:1066160 is 384.17 g/mol.
Where can I buy RefChem:1066160?
You can request a quote for RefChem:1066160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066160?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.