BAS 04996056
TL;DR: BAS 04996056 (CAS 842963-78-4) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-6-imino-7-(2-methoxyethyl)-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 04996056, N-cyclohexyl-2-imino-1-(2-methoxyethyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-cyclohexyl-6-imino-7-(2-methoxyethyl)-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 | C22H27N5O3 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 2.14599 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.2114 |
| Heavy Atoms | 30 |
| Complexity | 1221.3737 |
Chemical Identifiers
| CAS Number | 842963-78-4 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCOC)C(=O)NC4CCCCC4)C=C1 |
Product Overview
BAS 04996056 (CAS 842963-78-4), with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol. IUPAC: N-cyclohexyl-6-imino-7-(2-methoxyethyl)-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 04996056
Property Insights of BAS 04996056
The XLogP value of 2.14599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996056. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996056. Following Lipinski's Rule of Five, BAS 04996056 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 04996056?
The CAS number of BAS 04996056 is 842963-78-4.
What is the molecular formula of BAS 04996056?
The molecular formula of BAS 04996056 is C22H27N5O3.
What is the molecular weight of BAS 04996056?
The molecular weight of BAS 04996056 is 409.21 g/mol.
Where can I buy BAS 04996056?
You can request a quote for BAS 04996056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996056?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.