Exp 631
TL;DR: Exp 631 (CAS 151656-58-5) is a chemical compound with molecular formula C17H25NO5S and molecular weight 355.14536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-but-2-enedioic acid;2-(1-methyl-4-thiophen-3-ylpiperidin-4-yl)propan-2-ol
Also Known As: Exp 631, EXP631, C13H21NOS.1/2C4H4O4, C13-H21-N-O-S.1/2C4-H4-O4, 4-(3-Thienyl)-alpha,alpha,1-trimethyl-4-piperidinemethanol hemifumarate salt
Technical Specifications
| Molecular Formula | C17H25NO5S |
| Molecular Weight | 355.14536 g/mol |
| XLogP | 2.1942 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.14536 Da |
| Heavy Atoms | 24 |
| Complexity | 365.0 |
| SMILES | CC(C)(C1(CCN(CC1)C)C2=CSC=C2)O.C(=C\C(=O)O)\C(=O)O |
| InChIKey | UPIVEKIRCYVMLE-BTJKTKAUSA-N |
Chemical Property Profile of Exp 631
Property Insights of Exp 631
The XLogP value of 2.1942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Exp 631. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Exp 631. Following Lipinski's Rule of Five, Exp 631 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Exp 631?
The CAS number of Exp 631 is 151656-58-5.
What is the molecular formula of Exp 631?
The molecular formula of Exp 631 is C17H25NO5S.
What is the molecular weight of Exp 631?
The molecular weight of Exp 631 is 355.14536 g/mol.
Where can I buy Exp 631?
You can request a quote for Exp 631 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Exp 631?
Yes, CoreyChem provides custom synthesis services for Exp 631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.