BAS 01130044
TL;DR: BAS 01130044 (CAS 332117-68-7) is a chemical compound with molecular formula C17H17N5O5 and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
Also Known As: BAS 01130044, methyl 4-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate, methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate, methyl 4-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamido)benzoate, methyl 4-[2-(1,3-dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)acetylamino]benzo ate
| Molecular Formula | C17H17N5O5 |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | -0.141 |
| Topological Polar Surface Area | 117.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.12296 |
| Heavy Atoms | 27 |
| Complexity | 1153.4014 |
Chemical Identifiers
| CAS Number | 332117-68-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
BAS 01130044 (CAS 332117-68-7), with molecular formula C17H17N5O5 and molecular weight 371.12 g/mol. IUPAC: methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.
Chemical Property Profile of BAS 01130044
Property Insights of BAS 01130044
The XLogP value of -0.141 indicates that BAS 01130044 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01130044. Following Lipinski's Rule of Five, BAS 01130044 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 01130044?
The CAS number of BAS 01130044 is 332117-68-7.
What is the molecular formula of BAS 01130044?
The molecular formula of BAS 01130044 is C17H17N5O5.
What is the molecular weight of BAS 01130044?
The molecular weight of BAS 01130044 is 371.12 g/mol.
Where can I buy BAS 01130044?
You can request a quote for BAS 01130044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01130044?
Yes, KEHONG BIO provides custom synthesis services for BAS 01130044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.