BAS 04995750
TL;DR: BAS 04995750 (CAS 842962-76-9) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-imino-13-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 04995750, methyl 6-imino-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-carboxylate, methyl 2-imino-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, METHYL 2-IMINO-8-METHYL-5-OXO-1-PROPYL-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 1.63369 |
| Topological Polar Surface Area | 89.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 1079.054 |
Chemical Identifiers
| CAS Number | 842962-76-9 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=N)C(=O)OC)C(=O)N3C=C(C=CC3=N2)C |
Product Overview
BAS 04995750 (CAS 842962-76-9), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: methyl 6-imino-13-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of BAS 04995750
Property Insights of BAS 04995750
The XLogP value of 1.63369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04995750. The TPSA of 89.45 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04995750. Following Lipinski's Rule of Five, BAS 04995750 has 1 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 04995750?
The CAS number of BAS 04995750 is 842962-76-9.
What is the molecular formula of BAS 04995750?
The molecular formula of BAS 04995750 is C17H18N4O3.
What is the molecular weight of BAS 04995750?
The molecular weight of BAS 04995750 is 326.14 g/mol.
Where can I buy BAS 04995750?
You can request a quote for BAS 04995750 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04995750?
Yes, KEHONG BIO provides custom synthesis services for BAS 04995750 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.