CBKinase1_009869
TL;DR: CBKinase1_009869 (CAS 714212-34-7) is a chemical compound with molecular formula C30H25NO5 and molecular weight 479.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-methylphenyl) 3-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propanoate
Also Known As: CBKinase1_009869, CBKinase1_022269, BRD-A36576053-001-01-8, 2-acetyl-4-methylphenyl 3-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propanoate (non-preferred name), 2-acetyl-4-methylphenyl 3-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)propanoate
| Molecular Formula | C30H25NO5 |
|---|---|
| Molecular Weight | 479.17 g/mol |
| LogP | 4.38532 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.17328 |
| Heavy Atoms | 36 |
| Complexity | 1341.6982 |
Chemical Identifiers
| CAS Number | 714212-34-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)CCN2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)C |
Product Overview
CBKinase1_009869 (CAS 714212-34-7), with molecular formula C30H25NO5 and molecular weight 479.17 g/mol. IUPAC: (2-acetyl-4-methylphenyl) 3-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propanoate.
Chemical Property Profile of CBKinase1_009869
Property Insights of CBKinase1_009869
The XLogP value of 4.38532 indicates that CBKinase1_009869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_009869. Following Lipinski's Rule of Five, CBKinase1_009869 has 0 hydrogen bond donor(s) and 5 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 CBKinase1_009869?
The CAS number of CBKinase1_009869 is 714212-34-7.
What is the molecular formula of CBKinase1_009869?
The molecular formula of CBKinase1_009869 is C30H25NO5.
What is the molecular weight of CBKinase1_009869?
The molecular weight of CBKinase1_009869 is 479.17 g/mol.
Where can I buy CBKinase1_009869?
You can request a quote for CBKinase1_009869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_009869?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_009869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.