BAS 04995521
TL;DR: BAS 04995521 (CAS 842961-98-2) is a chemical compound with molecular formula C22H20N6O2 and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-13-methyl-2-oxo-N-prop-2-enyl-7-(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 04995521, 6-imino-13-methyl-2-oxo-N-(prop-2-en-1-yl)-7-[(pyridin-3-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-8-methyl-5-oxo-N-(prop-2-en-1-yl)-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-ALLYL-2-IMINO-8-METHYL-5-OXO-1-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C22H20N6O2 |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 1.79619 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.16476 |
| Heavy Atoms | 30 |
| Complexity | 1402.8396 |
Chemical Identifiers
| CAS Number | 842961-98-2 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)C(=O)NCC=C)C=C1 |
Product Overview
BAS 04995521 (CAS 842961-98-2), with molecular formula C22H20N6O2 and molecular weight 400.16 g/mol. IUPAC: 6-imino-13-methyl-2-oxo-N-prop-2-enyl-7-(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 04995521
Property Insights of BAS 04995521
The XLogP value of 1.79619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995521. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995521. Following Lipinski's Rule of Five, BAS 04995521 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 04995521?
The CAS number of BAS 04995521 is 842961-98-2.
What is the molecular formula of BAS 04995521?
The molecular formula of BAS 04995521 is C22H20N6O2.
What is the molecular weight of BAS 04995521?
The molecular weight of BAS 04995521 is 400.16 g/mol.
Where can I buy BAS 04995521?
You can request a quote for BAS 04995521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995521?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.