CBKinase1_005511
TL;DR: CBKinase1_005511 (CAS 957503-91-2) is a chemical compound with molecular formula C21H26BrN3O and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
Also Known As: CBKinase1_005511, CBKinase1_017911, AP-083/41836048, BRD-A57180556-001-01-5, 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
| Molecular Formula | C21H26BrN3O |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 4.46546 |
| Topological Polar Surface Area | 42.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.12592 |
| Heavy Atoms | 26 |
| Complexity | 969.6907 |
Chemical Identifiers
| CAS Number | 957503-91-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3=C2CCCC3)CC(CN4C(=C(C(=N4)C)Br)C)O |
Product Overview
CBKinase1_005511 (CAS 957503-91-2), with molecular formula C21H26BrN3O and molecular weight 415.13 g/mol. IUPAC: 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol.
Chemical Property Profile of CBKinase1_005511
Property Insights of CBKinase1_005511
The XLogP value of 4.46546 indicates that CBKinase1_005511 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.98 Ų, CBKinase1_005511 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_005511 has 1 hydrogen bond donor(s) and 2 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_005511?
The CAS number of CBKinase1_005511 is 957503-91-2.
What is the molecular formula of CBKinase1_005511?
The molecular formula of CBKinase1_005511 is C21H26BrN3O.
What is the molecular weight of CBKinase1_005511?
The molecular weight of CBKinase1_005511 is 415.13 g/mol.
Where can I buy CBKinase1_005511?
You can request a quote for CBKinase1_005511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_005511?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_005511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.