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methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate
TL;DR: methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate (CAS 255393-53-4) is a chemical compound with molecular formula C13H9ClO2S2 and molecular weight 295.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate
Also Known As: methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate, Maybridge4_003924, methyl 8-chloro-4H-benzo[b]thieno[2,3-d]thiine-2-carboxylate, 2-BROMO-2-BUTENE, 8484AD
| Molecular Formula | C13H9ClO2S2 |
|---|---|
| Molecular Weight | 295.97 g/mol |
| LogP | 4.4608 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.97324 |
| Heavy Atoms | 18 |
| Complexity | 633.9166 |
Chemical Identifiers
| CAS Number | 255393-53-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(S1)C3=C(C=CC(=C3)Cl)SC2 |
Product Overview
methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate (CAS 255393-53-4), with molecular formula C13H9ClO2S2 and molecular weight 295.97 g/mol. IUPAC: methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate.
Chemical Property Profile of methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate
Property Insights of methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate
The XLogP value of 4.4608 indicates that methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate?
The CAS number of methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate is 255393-53-4.
What is the molecular formula of methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate?
The molecular formula of methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate is C13H9ClO2S2.
What is the molecular weight of methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate?
The molecular weight of methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate is 295.97 g/mol.
Where can I buy methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate?
You can request a quote for methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 8-chloro-4H-thieno[3,2-c]thiochromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.