Bionet1_004576
TL;DR: Bionet1_004576 (CAS 478029-96-8) is a chemical compound with molecular formula C19H14N2O2S3 and molecular weight 398.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate
Also Known As: Bionet1_004576, 2R-1326, methyl 2-{[2-(methylsulfanyl)[1]benzothieno[3,2-d]pyrimidin-4-yl]sulfanyl}benzenecarboxylate, methyl 2-[(2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate, methyl 2-{[4-(methylsulfanyl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]sulfanyl}benzoate
| Molecular Formula | C19H14N2O2S3 |
|---|---|
| Molecular Weight | 398.02 g/mol |
| LogP | 5.5042 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.02173 |
| Heavy Atoms | 26 |
| Complexity | 1124.3817 |
Chemical Identifiers
| CAS Number | 478029-96-8 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=NC(=NC3=C2SC4=CC=CC=C43)SC |
Product Overview
Bionet1_004576 (CAS 478029-96-8), with molecular formula C19H14N2O2S3 and molecular weight 398.02 g/mol. IUPAC: methyl 2-[(2-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)sulfanyl]benzoate.
Chemical Property Profile of Bionet1_004576
Property Insights of Bionet1_004576
The XLogP value of 5.5042 indicates that Bionet1_004576 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Bionet1_004576 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004576 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bionet1_004576?
The CAS number of Bionet1_004576 is 478029-96-8.
What is the molecular formula of Bionet1_004576?
The molecular formula of Bionet1_004576 is C19H14N2O2S3.
What is the molecular weight of Bionet1_004576?
The molecular weight of Bionet1_004576 is 398.02 g/mol.
Where can I buy Bionet1_004576?
You can request a quote for Bionet1_004576 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004576?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004576 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.