BAS 04996089
TL;DR: BAS 04996089 (CAS 842964-11-8) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N,7-bis(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996089, 2-imino-N,1-bis(3-methoxypropyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C21H27N5O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 1.23989 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.2063 |
| Heavy Atoms | 30 |
| Complexity | 1181.9224 |
Chemical Identifiers
| CAS Number | 842964-11-8 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCCCOC)C=C1 |
Product Overview
BAS 04996089 (CAS 842964-11-8), with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol. IUPAC: 6-imino-N,7-bis(3-methoxypropyl)-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04996089
Property Insights of BAS 04996089
The XLogP value of 1.23989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996089. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996089. Following Lipinski's Rule of Five, BAS 04996089 has 2 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 04996089?
The CAS number of BAS 04996089 is 842964-11-8.
What is the molecular formula of BAS 04996089?
The molecular formula of BAS 04996089 is C21H27N5O4.
What is the molecular weight of BAS 04996089?
The molecular weight of BAS 04996089 is 413.21 g/mol.
Where can I buy BAS 04996089?
You can request a quote for BAS 04996089 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996089?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.