BAS 04995572
TL;DR: BAS 04995572 (CAS 876708-83-7) is a chemical compound with molecular formula C19H22N6O3 and molecular weight 382.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-13-methyl-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04995572, AS-871/41399091, 6-imino-13-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-IMINO-8-METHYL-1-(2-MORPHOLINOETHYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE, 2-imino-8-methyl-1-[2-(4-morpholinyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C19H22N6O3 |
|---|---|
| Molecular Weight | 382.18 g/mol |
| LogP | -0.13181 |
| Topological Polar Surface Area | 118.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.17532 |
| Heavy Atoms | 28 |
| Complexity | 1190.1892 |
Chemical Identifiers
| CAS Number | 876708-83-7 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCN4CCOCC4)C(=O)N)C=C1 |
Product Overview
BAS 04995572 (CAS 876708-83-7), with molecular formula C19H22N6O3 and molecular weight 382.18 g/mol. IUPAC: 6-imino-13-methyl-7-(2-morpholin-4-ylethyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04995572
Property Insights of BAS 04995572
The XLogP value of -0.13181 indicates that BAS 04995572 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995572. Following Lipinski's Rule of Five, BAS 04995572 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 04995572?
The CAS number of BAS 04995572 is 876708-83-7.
What is the molecular formula of BAS 04995572?
The molecular formula of BAS 04995572 is C19H22N6O3.
What is the molecular weight of BAS 04995572?
The molecular weight of BAS 04995572 is 382.18 g/mol.
Where can I buy BAS 04995572?
You can request a quote for BAS 04995572 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995572?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995572 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.