BAS 01130003
TL;DR: BAS 01130003 (CAS 314042-97-2) is a chemical compound with molecular formula C12H12N6O3S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
Also Known As: BAS 01130003, VU0356848-2, 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide, 2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C12H12N6O3S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.06915 |
| Heavy Atoms | 22 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 314042-97-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC=CS3 |
| InChIKey | MFFJBRVMBXDSLV-UHFFFAOYSA-N |
Product Overview
BAS 01130003 (CAS 314042-97-2), with molecular formula C12H12N6O3S and molecular weight 320.07 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of BAS 01130003
Property Insights of BAS 01130003
The XLogP value of -0.1 indicates that BAS 01130003 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01130003. Following Lipinski's Rule of Five, BAS 01130003 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 01130003?
The CAS number of BAS 01130003 is 314042-97-2.
What is the molecular formula of BAS 01130003?
The molecular formula of BAS 01130003 is C12H12N6O3S.
What is the molecular weight of BAS 01130003?
The molecular weight of BAS 01130003 is 320.07 g/mol.
Where can I buy BAS 01130003?
You can request a quote for BAS 01130003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01130003?
Yes, KEHONG BIO provides custom synthesis services for BAS 01130003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.