BAS 04996279
TL;DR: BAS 04996279 (CAS 510733-41-2) is a chemical compound with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butan-2-yl-N-(furan-2-ylmethyl)-6-imino-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 04996279, 1-(sec-Butyl)-N-(furan-2-ylmethyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-sec-butyl-N-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-(butan-2-yl)-N-(furan-2-ylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-SEC-BUTYL-N-(2-FURYLMETHYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C21H21N5O3 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.62267 |
| Topological Polar Surface Area | 105.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.16443 |
| Heavy Atoms | 29 |
| Complexity | 1318.1506 |
Chemical Identifiers
| CAS Number | 510733-41-2 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)C(=O)NCC3=CC=CO3)C(=O)N4C=CC=CC4=N2 |
Product Overview
BAS 04996279 (CAS 510733-41-2), with molecular formula C21H21N5O3 and molecular weight 391.16 g/mol. IUPAC: 7-butan-2-yl-N-(furan-2-ylmethyl)-6-imino-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 04996279
Property Insights of BAS 04996279
The XLogP value of 2.62267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996279. The TPSA of 105.39 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996279. Following Lipinski's Rule of Five, BAS 04996279 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 04996279?
The CAS number of BAS 04996279 is 510733-41-2.
What is the molecular formula of BAS 04996279?
The molecular formula of BAS 04996279 is C21H21N5O3.
What is the molecular weight of BAS 04996279?
The molecular weight of BAS 04996279 is 391.16 g/mol.
Where can I buy BAS 04996279?
You can request a quote for BAS 04996279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996279?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.