BAS 05290785
TL;DR: BAS 05290785 (CAS 433690-60-9) is a chemical compound with molecular formula C21H22N6O2S3 and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 05290785, ethyl 2-({5-[({4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}sulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, ethyl [(5-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[5-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl {5-[(4-amino-2,3-dimethyl-1-thia-5,7-diaza-6-indenylthio)methyl]-4-phenyl-4H-1,2,4-triazol-3-ylthio}acetate
| Molecular Formula | C21H22N6O2S3 |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 4.41854 |
| Topological Polar Surface Area | 108.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.09665 |
| Heavy Atoms | 32 |
| Complexity | 1255.644 |
Chemical Identifiers
| CAS Number | 433690-60-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C4C(=C(SC4=N3)C)C)N |
Product Overview
BAS 05290785 (CAS 433690-60-9), with molecular formula C21H22N6O2S3 and molecular weight 486.10 g/mol. IUPAC: ethyl 2-[[5-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 05290785
Property Insights of BAS 05290785
The XLogP value of 4.41854 indicates that BAS 05290785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.81 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05290785. Following Lipinski's Rule of Five, BAS 05290785 has 1 hydrogen bond donor(s) and 10 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 05290785?
The CAS number of BAS 05290785 is 433690-60-9.
What is the molecular formula of BAS 05290785?
The molecular formula of BAS 05290785 is C21H22N6O2S3.
What is the molecular weight of BAS 05290785?
The molecular weight of BAS 05290785 is 486.10 g/mol.
Where can I buy BAS 05290785?
You can request a quote for BAS 05290785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05290785?
Yes, KEHONG BIO provides custom synthesis services for BAS 05290785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.