BAS 04995583
TL;DR: BAS 04995583 (CAS 797814-64-3) is a chemical compound with molecular formula C22H26N6O3 and molecular weight 422.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04995583, 6-imino-11-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-N-(prop-2-en-1-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-10-methyl-1-[2-(morpholin-4-yl)ethyl]-5-oxo-N-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-ALLYL-2-IMINO-10-METHYL-1-[2-(4-MORPHOLINYL)ETHYL]-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C22H26N6O3 |
|---|---|
| Molecular Weight | 422.21 g/mol |
| LogP | 0.68509 |
| Topological Polar Surface Area | 104.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.20663 |
| Heavy Atoms | 31 |
| Complexity | 1270.1909 |
Chemical Identifiers
| CAS Number | 797814-64-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C(=O)NCC=C |
Product Overview
BAS 04995583 (CAS 797814-64-3), with molecular formula C22H26N6O3 and molecular weight 422.21 g/mol. IUPAC: 6-imino-11-methyl-7-(2-morpholin-4-ylethyl)-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04995583
Property Insights of BAS 04995583
The XLogP value of 0.68509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995583. The TPSA of 104.72 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995583. Following Lipinski's Rule of Five, BAS 04995583 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 BAS 04995583?
The CAS number of BAS 04995583 is 797814-64-3.
What is the molecular formula of BAS 04995583?
The molecular formula of BAS 04995583 is C22H26N6O3.
What is the molecular weight of BAS 04995583?
The molecular weight of BAS 04995583 is 422.21 g/mol.
Where can I buy BAS 04995583?
You can request a quote for BAS 04995583 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995583?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995583 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.