BAS 01129938
TL;DR: BAS 01129938 (CAS 314042-90-5) 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 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
Also Known As: BAS 01129938, methyl 2-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}benzoate, methyl 2-(2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetamido)benzoate, methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate, METHYL 2-[2-(1,3-DIMETHYL-2,6-DIOXOPURIN-7-YL)ACETAMIDO]BENZOATE
| Molecular Formula | C17H17N5O5 |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.12296 |
| Heavy Atoms | 27 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 314042-90-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=CC=C3C(=O)OC |
| InChIKey | ZBECPCXJSKEXDH-UHFFFAOYSA-N |
Product Overview
BAS 01129938 (CAS 314042-90-5), with molecular formula C17H17N5O5 and molecular weight 371.12 g/mol. IUPAC: methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.
Chemical Property Profile of BAS 01129938
Property Insights of BAS 01129938
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01129938. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01129938. Following Lipinski's Rule of Five, BAS 01129938 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 01129938?
The CAS number of BAS 01129938 is 314042-90-5.
What is the molecular formula of BAS 01129938?
The molecular formula of BAS 01129938 is C17H17N5O5.
What is the molecular weight of BAS 01129938?
The molecular weight of BAS 01129938 is 371.12 g/mol.
Where can I buy BAS 01129938?
You can request a quote for BAS 01129938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01129938?
Yes, KEHONG BIO provides custom synthesis services for BAS 01129938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.