BAS 04995771
TL;DR: BAS 04995771 (CAS 842962-91-8) is a chemical compound with molecular formula C19H21N5O2 and molecular weight 351.17 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-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04995771, 2-imino-8-methyl-5-oxo-N-(prop-2-en-1-yl)-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-ALLYL-2-IMINO-8-METHYL-5-OXO-1-PROPYL-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C19H21N5O2 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 1.76289 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.16953 |
| Heavy Atoms | 26 |
| Complexity | 1140.559 |
Chemical Identifiers
| CAS Number | 842962-91-8 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=C(C=CC3=N2)C |
Product Overview
BAS 04995771 (CAS 842962-91-8), with molecular formula C19H21N5O2 and molecular weight 351.17 g/mol. IUPAC: 6-imino-13-methyl-2-oxo-N-prop-2-enyl-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04995771
Property Insights of BAS 04995771
The XLogP value of 1.76289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995771. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995771. Following Lipinski's Rule of Five, BAS 04995771 has 2 hydrogen bond donor(s) and 4 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 04995771?
The CAS number of BAS 04995771 is 842962-91-8.
What is the molecular formula of BAS 04995771?
The molecular formula of BAS 04995771 is C19H21N5O2.
What is the molecular weight of BAS 04995771?
The molecular weight of BAS 04995771 is 351.17 g/mol.
Where can I buy BAS 04995771?
You can request a quote for BAS 04995771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995771?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.