BAS 04996128
TL;DR: BAS 04996128 (CAS 842964-56-1) is a chemical compound with molecular formula C19H22N4O4 and molecular weight 370.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(3-ethoxypropyl)-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 04996128, methyl 7-(3-ethoxypropyl)-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, methyl 1-(3-ethoxypropyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, METHYL 1-(3-ETHOXYPROPYL)-2-IMINO-8-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C19H22N4O4 |
|---|---|
| Molecular Weight | 370.16 g/mol |
| LogP | 1.65029 |
| Topological Polar Surface Area | 98.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 370.1641 |
| Heavy Atoms | 27 |
| Complexity | 1130.4381 |
Chemical Identifiers
| CAS Number | 842964-56-1 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=N)C(=O)OC)C(=O)N3C=C(C=CC3=N2)C |
Product Overview
BAS 04996128 (CAS 842964-56-1), with molecular formula C19H22N4O4 and molecular weight 370.16 g/mol. IUPAC: methyl 7-(3-ethoxypropyl)-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of BAS 04996128
Property Insights of BAS 04996128
The XLogP value of 1.65029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996128. The TPSA of 98.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996128. Following Lipinski's Rule of Five, BAS 04996128 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 04996128?
The CAS number of BAS 04996128 is 842964-56-1.
What is the molecular formula of BAS 04996128?
The molecular formula of BAS 04996128 is C19H22N4O4.
What is the molecular weight of BAS 04996128?
The molecular weight of BAS 04996128 is 370.16 g/mol.
Where can I buy BAS 04996128?
You can request a quote for BAS 04996128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996128?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.