ChemDiv3_005029
TL;DR: ChemDiv3_005029 (CAS 607384-77-0) is a chemical compound with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: ChemDiv3_005029, BAS 05509290, IDI1_022939, AS-871/41668741, BRD-K47244747-001-01-0
| Molecular Formula | C22H28N6O3 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 1.07999 |
| Topological Polar Surface Area | 104.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.2223 |
| Heavy Atoms | 31 |
| Complexity | 1254.0469 |
Chemical Identifiers
| CAS Number | 607384-77-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NCCN4CCOCC4 |
Product Overview
ChemDiv3_005029 (CAS 607384-77-0), with molecular formula C22H28N6O3 and molecular weight 424.22 g/mol. IUPAC: 6-imino-11-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of ChemDiv3_005029
Property Insights of ChemDiv3_005029
The XLogP value of 1.07999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_005029. The TPSA of 104.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_005029. Following Lipinski's Rule of Five, ChemDiv3_005029 has 2 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 ChemDiv3_005029?
The CAS number of ChemDiv3_005029 is 607384-77-0.
What is the molecular formula of ChemDiv3_005029?
The molecular formula of ChemDiv3_005029 is C22H28N6O3.
What is the molecular weight of ChemDiv3_005029?
The molecular weight of ChemDiv3_005029 is 424.22 g/mol.
Where can I buy ChemDiv3_005029?
You can request a quote for ChemDiv3_005029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_005029?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_005029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.