BAS 01129940
TL;DR: BAS 01129940 (CAS 332117-27-8) is a chemical compound with molecular formula C19H19N5O7 and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzene-1,3-dicarboxylate
Also Known As: BAS 01129940, dimethyl 5-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamido)isophthalate, dimethyl 5-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzene-1,3-dicarboxylate, 1,3-DIMETHYL 5-[2-(1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)ACETAMIDO]BENZENE-1,3-DICARBOXYLATE, dimethyl 5-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C19H19N5O7 |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | -0.3544 |
| Topological Polar Surface Area | 143.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.12845 |
| Heavy Atoms | 31 |
| Complexity | 1297.6407 |
Chemical Identifiers
| CAS Number | 332117-27-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
BAS 01129940 (CAS 332117-27-8), with molecular formula C19H19N5O7 and molecular weight 429.13 g/mol. IUPAC: dimethyl 5-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of BAS 01129940
Property Insights of BAS 01129940
The XLogP value of -0.3544 indicates that BAS 01129940 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.52 Ų indicates high polarity, suggesting BAS 01129940 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01129940 has 1 hydrogen bond donor(s) and 8 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 01129940?
The CAS number of BAS 01129940 is 332117-27-8.
What is the molecular formula of BAS 01129940?
The molecular formula of BAS 01129940 is C19H19N5O7.
What is the molecular weight of BAS 01129940?
The molecular weight of BAS 01129940 is 429.13 g/mol.
Where can I buy BAS 01129940?
You can request a quote for BAS 01129940 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01129940?
Yes, KEHONG BIO provides custom synthesis services for BAS 01129940 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.