RefChem:1099963
TL;DR: RefChem:1099963 (CAS 83427-57-0) is a chemical compound with molecular formula C18H19NO5S and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;(E)-but-2-enedioic acid
Also Known As: 5-Benzyl-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one maleate, Benzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 maleate [French], Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-(phenylmethyl)-, (Z)-2-butenedioate(1:1), Benzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 maleate, Thieno(3,2-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-(phenylmethyl)-, (Z)-2-butenedioate
| Molecular Formula | C18H19NO5S |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 2.1725 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.0984 |
| Heavy Atoms | 25 |
| Complexity | 682.6778 |
Chemical Identifiers
| CAS Number | 83427-57-0 |
|---|---|
| SMILES | C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1099963 (CAS 83427-57-0), with molecular formula C18H19NO5S and molecular weight 361.10 g/mol. IUPAC: 5-benzyl-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1099963
Property Insights of RefChem:1099963
The XLogP value of 2.1725 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1099963. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1099963. Following Lipinski's Rule of Five, RefChem:1099963 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:1099963?
The CAS number of RefChem:1099963 is 83427-57-0.
What is the molecular formula of RefChem:1099963?
The molecular formula of RefChem:1099963 is C18H19NO5S.
What is the molecular weight of RefChem:1099963?
The molecular weight of RefChem:1099963 is 361.10 g/mol.
Where can I buy RefChem:1099963?
You can request a quote for RefChem:1099963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1099963?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1099963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.