BAS 04996029
TL;DR: BAS 04996029 (CAS 842963-51-3) is a chemical compound with molecular formula C21H21N5O4 and molecular weight 407.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethyl)-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 04996029, N-[(furan-2-yl)methyl]-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, 2-azanylidene-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-8-methyl-5-oxidanylidene-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, N-(2-furanylmethyl)-2-imino-1-(2-methoxyethyl)-8-methyl-5-oxo-3-dipyrido[1,2-d:3'',4''-f]pyrimidinecarboxamide, N-(2-furfuryl)-2-imino-5-keto-1-(2-methoxyethyl)-8-methyl-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide
| Molecular Formula | C21H21N5O4 |
|---|---|
| Molecular Weight | 407.16 g/mol |
| LogP | 1.60649 |
| Topological Polar Surface Area | 114.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.15936 |
| Heavy Atoms | 30 |
| Complexity | 1352.0829 |
Chemical Identifiers
| CAS Number | 842963-51-3 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCOC)C(=O)NCC4=CC=CO4)C=C1 |
Product Overview
BAS 04996029 (CAS 842963-51-3), with molecular formula C21H21N5O4 and molecular weight 407.16 g/mol. IUPAC: N-(furan-2-ylmethyl)-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 04996029
Property Insights of BAS 04996029
The XLogP value of 1.60649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996029. The TPSA of 114.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996029. Following Lipinski's Rule of Five, BAS 04996029 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 04996029?
The CAS number of BAS 04996029 is 842963-51-3.
What is the molecular formula of BAS 04996029?
The molecular formula of BAS 04996029 is C21H21N5O4.
What is the molecular weight of BAS 04996029?
The molecular weight of BAS 04996029 is 407.16 g/mol.
Where can I buy BAS 04996029?
You can request a quote for BAS 04996029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996029?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.