BAS 05509279
TL;DR: BAS 05509279 (CAS 799251-11-9) is a chemical compound with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-13-methyl-2-oxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 05509279, 2-Imino-1-isopropyl-6-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide, 2-IMINO-1-ISOPROPYL-8-METHYL-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, 2-imino-8-methyl-5-oxo-1-(propan-2-yl)-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H22N6O2 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.18042 |
| Heavy Atoms | 30 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 799251-11-9 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NCC4=CN=CC=C4)C=C1 |
| InChIKey | WJIDIOBOCMONGU-UHFFFAOYSA-N |
Product Overview
BAS 05509279 (CAS 799251-11-9), with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol. IUPAC: 6-imino-13-methyl-2-oxo-7-propan-2-yl-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 05509279
Property Insights of BAS 05509279
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05509279. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05509279. Following Lipinski's Rule of Five, BAS 05509279 has 2 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 BAS 05509279?
The CAS number of BAS 05509279 is 799251-11-9.
What is the molecular formula of BAS 05509279?
The molecular formula of BAS 05509279 is C22H22N6O2.
What is the molecular weight of BAS 05509279?
The molecular weight of BAS 05509279 is 402.18 g/mol.
Where can I buy BAS 05509279?
You can request a quote for BAS 05509279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05509279?
Yes, KEHONG BIO provides custom synthesis services for BAS 05509279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.