CBKinase1_004987
TL;DR: CBKinase1_004987 (CAS 695175-91-8) is a chemical compound with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Also Known As: CBKinase1_004987, CBKinase1_017387, BRD-A55226948-001-01-5, 1-(3-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone, 1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C18H19N3OS2 |
|---|---|
| Molecular Weight | 357.10 g/mol |
| LogP | 4.35852 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.09695 |
| Heavy Atoms | 24 |
| Complexity | 912.2697 |
Chemical Identifiers
| CAS Number | 695175-91-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=CC=CC=C3N2C(=O)CSC4=NN=C(S4)C |
Product Overview
CBKinase1_004987 (CAS 695175-91-8), with molecular formula C18H19N3OS2 and molecular weight 357.10 g/mol. IUPAC: 1-(3-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of CBKinase1_004987
Property Insights of CBKinase1_004987
The XLogP value of 4.35852 indicates that CBKinase1_004987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, CBKinase1_004987 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_004987 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_004987?
The CAS number of CBKinase1_004987 is 695175-91-8.
What is the molecular formula of CBKinase1_004987?
The molecular formula of CBKinase1_004987 is C18H19N3OS2.
What is the molecular weight of CBKinase1_004987?
The molecular weight of CBKinase1_004987 is 357.10 g/mol.
Where can I buy CBKinase1_004987?
You can request a quote for CBKinase1_004987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_004987?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_004987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.