RefChem:1099968
TL;DR: RefChem:1099968 (CAS 83427-59-2) is a chemical compound with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-[(4-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
Also Known As: 5-(p-Chlorobenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one maleate, Thieno(3,2-e)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-((4-chlorophenyl)methyl)-, (Z)-2-butenedioate (1:1), p-Chlorobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 maleate [French], p-Chlorobenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 maleate, (E)-but-2-enedioic acid; 5-[(4-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one
| Molecular Formula | C18H18ClNO5S |
|---|---|
| Molecular Weight | 395.06 g/mol |
| LogP | 2.8259 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.05942 |
| Heavy Atoms | 26 |
| Complexity | 728.45325 |
Chemical Identifiers
| CAS Number | 83427-59-2 |
|---|---|
| SMILES | C1CN(CC2=CC(=O)SC21)CC3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1099968 (CAS 83427-59-2), with molecular formula C18H18ClNO5S and molecular weight 395.06 g/mol. IUPAC: (E)-but-2-enedioic acid;5-[(4-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one.
Chemical Property Profile of RefChem:1099968
Property Insights of RefChem:1099968
The XLogP value of 2.8259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099968. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099968. Following Lipinski's Rule of Five, RefChem:1099968 has 2 hydrogen bond donor(s) and 5 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 RefChem:1099968?
The CAS number of RefChem:1099968 is 83427-59-2.
What is the molecular formula of RefChem:1099968?
The molecular formula of RefChem:1099968 is C18H18ClNO5S.
What is the molecular weight of RefChem:1099968?
The molecular weight of RefChem:1099968 is 395.06 g/mol.
Where can I buy RefChem:1099968?
You can request a quote for RefChem:1099968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099968?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.