BAS 04995409
TL;DR: BAS 04995409 (CAS 577962-02-8) is a chemical compound with molecular formula C23H22N6O3 and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-2-oxo-7-(oxolan-2-ylmethyl)-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 04995409, 2-imino-5-oxo-N-(3-pyridinylmethyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 2-Imino-10-oxo-1-(tetrahydro-furan-2-ylmethyl)-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (pyridin-3-ylmethyl)-amide, 2-imino-5-oxo-N-(pyridin-3-ylmethyl)-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-5-oxo-N-(pyridin-3-ylmethyl)-1-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C23H22N6O3 |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 1.63267 |
| Topological Polar Surface Area | 114.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.17532 |
| Heavy Atoms | 32 |
| Complexity | 1421.14 |
Chemical Identifiers
| CAS Number | 577962-02-8 |
|---|---|
| SMILES | C1CC(OC1)CN2C3=C(C=C(C2=N)C(=O)NCC4=CN=CC=C4)C(=O)N5C=CC=CC5=N3 |
Product Overview
BAS 04995409 (CAS 577962-02-8), with molecular formula C23H22N6O3 and molecular weight 430.18 g/mol. IUPAC: 6-imino-2-oxo-7-(oxolan-2-ylmethyl)-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 04995409
Property Insights of BAS 04995409
The XLogP value of 1.63267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995409. The TPSA of 114.37 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995409. Following Lipinski's Rule of Five, BAS 04995409 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 04995409?
The CAS number of BAS 04995409 is 577962-02-8.
What is the molecular formula of BAS 04995409?
The molecular formula of BAS 04995409 is C23H22N6O3.
What is the molecular weight of BAS 04995409?
The molecular weight of BAS 04995409 is 430.18 g/mol.
Where can I buy BAS 04995409?
You can request a quote for BAS 04995409 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995409?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995409 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.