BDW568
TL;DR: BDW568 (CAS 335401-44-0) is a chemical compound with molecular formula C12H12N4O2S2 and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(11,12-dimethyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetate
Also Known As: BDW568, ASN 02324776, (8,9-Dimethyl-thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-ylsulfanyl)-acetic
| Molecular Formula | C12H12N4O2S2 |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 2.22094 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.04016 |
| Heavy Atoms | 20 |
| Complexity | 808.598 |
Chemical Identifiers
| CAS Number | 335401-44-0 |
|---|---|
| SMILES | CC1=C(SC2=C1C3=NN=C(N3C=N2)SCC(=O)OC)C |
Product Overview
BDW568 (CAS 335401-44-0), with molecular formula C12H12N4O2S2 and molecular weight 308.04 g/mol. IUPAC: methyl 2-[(11,12-dimethyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetate.
Chemical Property Profile of BDW568
Property Insights of BDW568
The XLogP value of 2.22094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BDW568. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BDW568. Following Lipinski's Rule of Five, BDW568 has 0 hydrogen bond donor(s) and 7 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 BDW568?
The CAS number of BDW568 is 335401-44-0.
What is the molecular formula of BDW568?
The molecular formula of BDW568 is C12H12N4O2S2.
What is the molecular weight of BDW568?
The molecular weight of BDW568 is 308.04 g/mol.
Where can I buy BDW568?
You can request a quote for BDW568 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BDW568?
Yes, KEHONG BIO provides custom synthesis services for BDW568 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.