ChemDiv2_004694
TL;DR: ChemDiv2_004694 (CAS 700855-49-8) is a chemical compound with molecular formula C23H21N5O and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-(4,6-dimethylpyrimidin-2-yl)cyanamide
Also Known As: ChemDiv2_004694, CBKinase1_005156, CBKinase1_017556, BAS 07100350, IDI1_003409
| Molecular Formula | C23H21N5O |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 3.84442 |
| Topological Polar Surface Area | 73.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.17462 |
| Heavy Atoms | 29 |
| Complexity | 1050.4962 |
Chemical Identifiers
| CAS Number | 700855-49-8 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N(CC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42)C#N)C |
Product Overview
ChemDiv2_004694 (CAS 700855-49-8), with molecular formula C23H21N5O and molecular weight 383.17 g/mol. IUPAC: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]-(4,6-dimethylpyrimidin-2-yl)cyanamide.
Chemical Property Profile of ChemDiv2_004694
Property Insights of ChemDiv2_004694
The XLogP value of 3.84442 indicates that ChemDiv2_004694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004694. Following Lipinski's Rule of Five, ChemDiv2_004694 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 ChemDiv2_004694?
The CAS number of ChemDiv2_004694 is 700855-49-8.
What is the molecular formula of ChemDiv2_004694?
The molecular formula of ChemDiv2_004694 is C23H21N5O.
What is the molecular weight of ChemDiv2_004694?
The molecular weight of ChemDiv2_004694 is 383.17 g/mol.
Where can I buy ChemDiv2_004694?
You can request a quote for ChemDiv2_004694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004694?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.