BAS 04995519
TL;DR: BAS 04995519 (CAS 369401-59-2) is a chemical compound with molecular formula C21H18N6O2 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-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 04995519, 6-imino-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-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-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C21H18N6O2 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 1.48777 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.1491 |
| Heavy Atoms | 29 |
| Complexity | 1354.9729 |
Chemical Identifiers
| CAS Number | 369401-59-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CN=CC=C4 |
Product Overview
BAS 04995519 (CAS 369401-59-2), with molecular formula C21H18N6O2 and molecular weight 386.15 g/mol. IUPAC: 6-imino-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 04995519
Property Insights of BAS 04995519
The XLogP value of 1.48777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995519. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995519. Following Lipinski's Rule of Five, BAS 04995519 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 04995519?
The CAS number of BAS 04995519 is 369401-59-2.
What is the molecular formula of BAS 04995519?
The molecular formula of BAS 04995519 is C21H18N6O2.
What is the molecular weight of BAS 04995519?
The molecular weight of BAS 04995519 is 386.15 g/mol.
Where can I buy BAS 04995519?
You can request a quote for BAS 04995519 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995519?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995519 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.