BAS 04996337
TL;DR: BAS 04996337 (CAS 618080-56-1) is a chemical compound with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04996337, N-ALLYL-1-[2-(2-HYDROXYETHOXY)ETHYL]-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE, 1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-N-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-ALLYL-1-[2-(2-HYDROXYETHOXY)ETHYL]-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C20H23N5O4 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 0.36179 |
| Topological Polar Surface Area | 121.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.17502 |
| Heavy Atoms | 29 |
| Complexity | 1195.3918 |
Chemical Identifiers
| CAS Number | 618080-56-1 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOCCO)C(=O)NCC=C |
Product Overview
BAS 04996337 (CAS 618080-56-1), with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol. IUPAC: 7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04996337
Property Insights of BAS 04996337
The XLogP value of 0.36179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996337. The TPSA of 121.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996337. Following Lipinski's Rule of Five, BAS 04996337 has 3 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 04996337?
The CAS number of BAS 04996337 is 618080-56-1.
What is the molecular formula of BAS 04996337?
The molecular formula of BAS 04996337 is C20H23N5O4.
What is the molecular weight of BAS 04996337?
The molecular weight of BAS 04996337 is 397.18 g/mol.
Where can I buy BAS 04996337?
You can request a quote for BAS 04996337 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996337?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996337 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.