BAS 04996095
TL;DR: BAS 04996095 (CAS 842964-21-0) is a chemical compound with molecular formula C24H25N5O3 and molecular weight 431.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-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 04996095, N-benzyl-2-imino-1-(3-methoxypropyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-benzyl-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 | C24H25N5O3 |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 2.40359 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.19574 |
| Heavy Atoms | 32 |
| Complexity | 1406.8466 |
Chemical Identifiers
| CAS Number | 842964-21-0 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC)C(=O)NCC4=CC=CC=C4)C=C1 |
Product Overview
BAS 04996095 (CAS 842964-21-0), with molecular formula C24H25N5O3 and molecular weight 431.20 g/mol. IUPAC: N-benzyl-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 04996095
Property Insights of BAS 04996095
The XLogP value of 2.40359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04996095. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04996095. Following Lipinski's Rule of Five, BAS 04996095 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 04996095?
The CAS number of BAS 04996095 is 842964-21-0.
What is the molecular formula of BAS 04996095?
The molecular formula of BAS 04996095 is C24H25N5O3.
What is the molecular weight of BAS 04996095?
The molecular weight of BAS 04996095 is 431.20 g/mol.
Where can I buy BAS 04996095?
You can request a quote for BAS 04996095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04996095?
Yes, KEHONG BIO provides custom synthesis services for BAS 04996095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.