BAS 04996083
TL;DR: BAS 04996083 (CAS 842964-01-6) is a chemical compound with molecular formula C19H23N5O3 and molecular weight 369.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-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-carboxamide
Also Known As: BAS 04996083, N-ethyl-2-imino-1-(3-methoxypropyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-ethyl-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-carboxamide
| Molecular Formula | C19H23N5O3 |
|---|---|
| Molecular Weight | 369.18 g/mol |
| LogP | 1.22329 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.18008 |
| Heavy Atoms | 27 |
| Complexity | 1130.0736 |
Chemical Identifiers
| CAS Number | 842964-01-6 |
|---|---|
| SMILES | CCNC(=O)C1=CC2=C(N=C3C=CC(=CN3C2=O)C)N(C1=N)CCCOC |
Product Overview
BAS 04996083 (CAS 842964-01-6), with molecular formula C19H23N5O3 and molecular weight 369.18 g/mol. IUPAC: N-ethyl-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-carboxamide.
Chemical Property Profile of BAS 04996083
Property Insights of BAS 04996083
The XLogP value of 1.22329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996083. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996083. Following Lipinski's Rule of Five, BAS 04996083 has 2 hydrogen bond donor(s) and 5 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 04996083?
The CAS number of BAS 04996083 is 842964-01-6.
What is the molecular formula of BAS 04996083?
The molecular formula of BAS 04996083 is C19H23N5O3.
What is the molecular weight of BAS 04996083?
The molecular weight of BAS 04996083 is 369.18 g/mol.
Where can I buy BAS 04996083?
You can request a quote for BAS 04996083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996083?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.