BAS 04996065
TL;DR: BAS 04996065 (CAS 842963-86-4) is a chemical compound with molecular formula C18H20N4O4 and molecular weight 356.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-imino-7-(3-methoxypropyl)-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 04996065, methyl 6-imino-7-(3-methoxypropyl)-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 2-imino-1-(3-methoxypropyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, METHYL 2-IMINO-1-(3-METHOXYPROPYL)-8-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C18H20N4O4 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | 1.26019 |
| Topological Polar Surface Area | 98.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.14847 |
| Heavy Atoms | 26 |
| Complexity | 1114.0505 |
Chemical Identifiers
| CAS Number | 842963-86-4 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)OC)C=C1 |
Product Overview
BAS 04996065 (CAS 842963-86-4), with molecular formula C18H20N4O4 and molecular weight 356.15 g/mol. IUPAC: methyl 6-imino-7-(3-methoxypropyl)-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 04996065
Property Insights of BAS 04996065
The XLogP value of 1.26019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996065. The TPSA of 98.68 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996065. Following Lipinski's Rule of Five, BAS 04996065 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 04996065?
The CAS number of BAS 04996065 is 842963-86-4.
What is the molecular formula of BAS 04996065?
The molecular formula of BAS 04996065 is C18H20N4O4.
What is the molecular weight of BAS 04996065?
The molecular weight of BAS 04996065 is 356.15 g/mol.
Where can I buy BAS 04996065?
You can request a quote for BAS 04996065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996065?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.