BAS 04995211
TL;DR: BAS 04995211 (CAS 690688-55-2) is a chemical compound with molecular formula C22H19N5O2 and molecular weight 385.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-6-imino-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 04995211, AB00804099-01, 1-benzyl-2-imino-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-benzyl-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H19N5O2 |
|---|---|
| Molecular Weight | 385.15 g/mol |
| LogP | 2.09277 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.15387 |
| Heavy Atoms | 29 |
| Complexity | 1353.0042 |
Chemical Identifiers
| CAS Number | 690688-55-2 |
|---|---|
| SMILES | C=CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC4=CC=CC=C4 |
Product Overview
BAS 04995211 (CAS 690688-55-2), with molecular formula C22H19N5O2 and molecular weight 385.15 g/mol. IUPAC: 7-benzyl-6-imino-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 04995211
Property Insights of BAS 04995211
The XLogP value of 2.09277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995211. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995211. Following Lipinski's Rule of Five, BAS 04995211 has 2 hydrogen bond donor(s) and 4 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 04995211?
The CAS number of BAS 04995211 is 690688-55-2.
What is the molecular formula of BAS 04995211?
The molecular formula of BAS 04995211 is C22H19N5O2.
What is the molecular weight of BAS 04995211?
The molecular weight of BAS 04995211 is 385.15 g/mol.
Where can I buy BAS 04995211?
You can request a quote for BAS 04995211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995211?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.