CBKinase1_003014
TL;DR: CBKinase1_003014 (CAS 692773-97-0) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
Also Known As: CBKinase1_003014, CBKinase1_015414, 4-(4-methoxy-3-(methoxymethyl)phenyl)-3-methyl-1-phenyl-6,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H)-one, 4-[4-METHOXY-3-(METHOXYMETHYL)PHENYL]-3-METHYL-1-PHENYL-1H,4H,6H,7H,8H-PYRAZOLO[3,4-E][1,4]THIAZEPIN-7-ONE, 4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-2,4-dihydropyrazolo[3,4-e][1,4]thiazepin-7-one
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 4.11042 |
| Topological Polar Surface Area | 65.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 1033.2817 |
Chemical Identifiers
| CAS Number | 692773-97-0 |
|---|---|
| SMILES | CC1=NN(C2=C1C(SCC(=O)N2)C3=CC(=C(C=C3)OC)COC)C4=CC=CC=C4 |
Product Overview
CBKinase1_003014 (CAS 692773-97-0), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: 4-[4-methoxy-3-(methoxymethyl)phenyl]-3-methyl-1-phenyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
Chemical Property Profile of CBKinase1_003014
Property Insights of CBKinase1_003014
The XLogP value of 4.11042 indicates that CBKinase1_003014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.38 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003014. Following Lipinski's Rule of Five, CBKinase1_003014 has 1 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_003014?
The CAS number of CBKinase1_003014 is 692773-97-0.
What is the molecular formula of CBKinase1_003014?
The molecular formula of CBKinase1_003014 is C22H23N3O3S.
What is the molecular weight of CBKinase1_003014?
The molecular weight of CBKinase1_003014 is 409.15 g/mol.
Where can I buy CBKinase1_003014?
You can request a quote for CBKinase1_003014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003014?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.