BAS 13119005
TL;DR: BAS 13119005 (CAS 353772-22-2) is a chemical compound with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1,3-dicyclohexyl-6-hydroxypyrimidine-2,4-dione
Also Known As: BAS 13119005, 5-{[(1,3-BENZODIOXOL-5-YLMETHYL)AMINO]METHYLENE}-1,3-DICYCLOHEXYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(((benzo[d][1,3]dioxol-5-ylmethyl)amino)methylene)-1,3-dicyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione, 5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-1,3-dicyclohexylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C25H31N3O5 |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 4.0738 |
| Topological Polar Surface Area | 95.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.22638 |
| Heavy Atoms | 33 |
| Complexity | 1153.853 |
Chemical Identifiers
| CAS Number | 353772-22-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C=NCC4=CC5=C(C=C4)OCO5)O |
Product Overview
BAS 13119005 (CAS 353772-22-2), with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1,3-dicyclohexyl-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of BAS 13119005
Property Insights of BAS 13119005
The XLogP value of 4.0738 indicates that BAS 13119005 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13119005. Following Lipinski's Rule of Five, BAS 13119005 has 1 hydrogen bond donor(s) and 6 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 13119005?
The CAS number of BAS 13119005 is 353772-22-2.
What is the molecular formula of BAS 13119005?
The molecular formula of BAS 13119005 is C25H31N3O5.
What is the molecular weight of BAS 13119005?
The molecular weight of BAS 13119005 is 453.23 g/mol.
Where can I buy BAS 13119005?
You can request a quote for BAS 13119005 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13119005?
Yes, KEHONG BIO provides custom synthesis services for BAS 13119005 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.