BAS 00918019
TL;DR: BAS 00918019 (CAS 5854-21-7) is a chemical compound with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-imino-13-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 00918019, ethyl 2-imino-8-methyl-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 6-imino-13-methyl-2-oxo-7-[(pyridin-3-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl 2-imino-8-methyl-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, ethyl 2-imino-8-methyl-5-oxo-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C21H19N5O3 |
|---|---|
| Molecular Weight | 389.15 g/mol |
| LogP | 2.05709 |
| Topological Polar Surface Area | 102.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1488 |
| Heavy Atoms | 29 |
| Complexity | 1356.3633 |
Chemical Identifiers
| CAS Number | 5854-21-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CC4=CN=CC=C4 |
Product Overview
BAS 00918019 (CAS 5854-21-7), with molecular formula C21H19N5O3 and molecular weight 389.15 g/mol. IUPAC: ethyl 6-imino-13-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of BAS 00918019
Property Insights of BAS 00918019
The XLogP value of 2.05709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00918019. The TPSA of 102.34 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00918019. Following Lipinski's Rule of Five, BAS 00918019 has 1 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 00918019?
The CAS number of BAS 00918019 is 5854-21-7.
What is the molecular formula of BAS 00918019?
The molecular formula of BAS 00918019 is C21H19N5O3.
What is the molecular weight of BAS 00918019?
The molecular weight of BAS 00918019 is 389.15 g/mol.
Where can I buy BAS 00918019?
You can request a quote for BAS 00918019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00918019?
Yes, KEHONG BIO provides custom synthesis services for BAS 00918019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.