CBKinase1_008903
TL;DR: CBKinase1_008903 (CAS 1094757-35-3) is a chemical compound with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethyl-2-[[2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetyl]amino]thiophene-3-carboxylate
Also Known As: CBKinase1_008903, CBKinase1_021303, BRD-A36165599-001-01-1, F1709-0025, methyl 4,5-dimethyl-2-(2-{12-oxo-10,13-diazatricyclo[7.4.1.0^{5,14}]tetradeca-1,3,5(14),6,8-pentaen-11-yl}acetamido)thiophene-3-carboxylate
| Molecular Formula | C22H21N3O4S |
|---|---|
| Molecular Weight | 423.13 g/mol |
| LogP | 4.06614 |
| Topological Polar Surface Area | 96.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.12527 |
| Heavy Atoms | 30 |
| Complexity | 1179.3345 |
Chemical Identifiers
| CAS Number | 1094757-35-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CC2C(=O)NC3=CC=CC4=C3C(=CC=C4)N2)C |
Product Overview
CBKinase1_008903 (CAS 1094757-35-3), with molecular formula C22H21N3O4S and molecular weight 423.13 g/mol. IUPAC: methyl 4,5-dimethyl-2-[[2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of CBKinase1_008903
Property Insights of CBKinase1_008903
The XLogP value of 4.06614 indicates that CBKinase1_008903 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.53 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008903. Following Lipinski's Rule of Five, CBKinase1_008903 has 3 hydrogen bond donor(s) and 6 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_008903?
The CAS number of CBKinase1_008903 is 1094757-35-3.
What is the molecular formula of CBKinase1_008903?
The molecular formula of CBKinase1_008903 is C22H21N3O4S.
What is the molecular weight of CBKinase1_008903?
The molecular weight of CBKinase1_008903 is 423.13 g/mol.
Where can I buy CBKinase1_008903?
You can request a quote for CBKinase1_008903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008903?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.