ChemDiv3_012075
TL;DR: ChemDiv3_012075 (CAS 864922-89-4) is a chemical compound with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: ChemDiv3_012075, F0698-0510, BRD-K73310288-001-01-1, methyl 5-(((3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl)thio)methyl)furan-2-carboxylate, methyl 5-({[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl}methyl)furan-2-carboxylate
| Molecular Formula | C16H14N2O4S2 |
|---|---|
| Molecular Weight | 362.04 g/mol |
| LogP | 3.8856 |
| Topological Polar Surface Area | 74.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.0395 |
| Heavy Atoms | 24 |
| Complexity | 826.7323 |
Chemical Identifiers
| CAS Number | 864922-89-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NSC(=N2)SCC3=CC=C(O3)C(=O)OC |
Product Overview
ChemDiv3_012075 (CAS 864922-89-4), with molecular formula C16H14N2O4S2 and molecular weight 362.04 g/mol. IUPAC: methyl 5-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of ChemDiv3_012075
Property Insights of ChemDiv3_012075
The XLogP value of 3.8856 indicates that ChemDiv3_012075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012075. Following Lipinski's Rule of Five, ChemDiv3_012075 has 0 hydrogen bond donor(s) and 8 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 ChemDiv3_012075?
The CAS number of ChemDiv3_012075 is 864922-89-4.
What is the molecular formula of ChemDiv3_012075?
The molecular formula of ChemDiv3_012075 is C16H14N2O4S2.
What is the molecular weight of ChemDiv3_012075?
The molecular weight of ChemDiv3_012075 is 362.04 g/mol.
Where can I buy ChemDiv3_012075?
You can request a quote for ChemDiv3_012075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012075?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.