CTK3F0880
TL;DR: CTK3F0880 (CAS 87255-56-9) 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-7,7-dimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one;but-2-enedioic acid
Also Known As: 3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-5,5-dimethyl-3-(phenylmethyl)-, (+-)-, (Z)-2-butenedioate (1:1)
| 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 | 87255-56-9 |
|---|---|
| SMILES | CC1(CC2C3=C(CCN2CC4=CC=CC=C4)C5=CC=CC=C5N3C(=O)C1)C.C(=CC(=O)O)C(=O)O |
Product Overview
CTK3F0880 (CAS 87255-56-9), with molecular formula C28H30N2O5 and molecular weight 474.22 g/mol. IUPAC: 4-benzyl-7,7-dimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one;but-2-enedioic acid.
Chemical Property Profile of CTK3F0880
Property Insights of CTK3F0880
The XLogP value of 4.9127 indicates that CTK3F0880 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 CTK3F0880. Following Lipinski's Rule of Five, CTK3F0880 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 CTK3F0880?
The CAS number of CTK3F0880 is 87255-56-9.
What is the molecular formula of CTK3F0880?
The molecular formula of CTK3F0880 is C28H30N2O5.
What is the molecular weight of CTK3F0880?
The molecular weight of CTK3F0880 is 474.22 g/mol.
Where can I buy CTK3F0880?
You can request a quote for CTK3F0880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3F0880?
Yes, KEHONG BIO provides custom synthesis services for CTK3F0880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.