BAS 04995774
TL;DR: BAS 04995774 (CAS 842962-96-3) is a chemical compound with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 04995774, 2-imino-N-(3-methoxypropyl)-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
| Molecular Formula | C20H25N5O3 |
|---|---|
| Molecular Weight | 383.20 g/mol |
| LogP | 1.61339 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.19574 |
| Heavy Atoms | 28 |
| Complexity | 1146.4707 |
Chemical Identifiers
| CAS Number | 842962-96-3 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=N)C(=O)NCCCOC)C(=O)N3C=C(C=CC3=N2)C |
Product Overview
BAS 04995774 (CAS 842962-96-3), with molecular formula C20H25N5O3 and molecular weight 383.20 g/mol. IUPAC: 6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of BAS 04995774
Property Insights of BAS 04995774
The XLogP value of 1.61339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995774. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995774. Following Lipinski's Rule of Five, BAS 04995774 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 04995774?
The CAS number of BAS 04995774 is 842962-96-3.
What is the molecular formula of BAS 04995774?
The molecular formula of BAS 04995774 is C20H25N5O3.
What is the molecular weight of BAS 04995774?
The molecular weight of BAS 04995774 is 383.20 g/mol.
Where can I buy BAS 04995774?
You can request a quote for BAS 04995774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995774?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.