C12H19NS.xC4H4O4
TL;DR: C12H19NS.xC4H4O4 (CAS 73604-74-7) is a chemical compound with molecular formula C16H23NO4S and molecular weight 325.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;1-methyl-3-propyl-3-thiophen-2-ylpyrrolidine
Also Known As: N-Methyl propyl-3 (thienyl-2)-3 pyrrolidine fumarate, N-Methyl propyl-3 (thienyl-2)-3 pyrrolidine fumarate [French], 1-Methyl-3-propyl-3-(2-thienyl)pyrrolidine (E)-2-butenedioate, Pyrrolidine, 1-methyl-3-propyl-3-(2-thienyl)-, (E)-2-butenedioate
| Molecular Formula | C16H23NO4S |
|---|---|
| Molecular Weight | 325.13 g/mol |
| LogP | 2.8333 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.13477 |
| Heavy Atoms | 22 |
| Complexity | 492.2253 |
Chemical Identifiers
| CAS Number | 73604-74-7 |
|---|---|
| SMILES | CCCC1(CCN(C1)C)C2=CC=CS2.C(=CC(=O)O)C(=O)O |
Product Overview
C12H19NS.xC4H4O4 (CAS 73604-74-7), with molecular formula C16H23NO4S and molecular weight 325.13 g/mol. IUPAC: but-2-enedioic acid;1-methyl-3-propyl-3-thiophen-2-ylpyrrolidine.
Chemical Property Profile of C12H19NS.xC4H4O4
Property Insights of C12H19NS.xC4H4O4
The XLogP value of 2.8333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H19NS.xC4H4O4. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H19NS.xC4H4O4. Following Lipinski's Rule of Five, C12H19NS.xC4H4O4 has 2 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 C12H19NS.xC4H4O4?
The CAS number of C12H19NS.xC4H4O4 is 73604-74-7.
What is the molecular formula of C12H19NS.xC4H4O4?
The molecular formula of C12H19NS.xC4H4O4 is C16H23NO4S.
What is the molecular weight of C12H19NS.xC4H4O4?
The molecular weight of C12H19NS.xC4H4O4 is 325.13 g/mol.
Where can I buy C12H19NS.xC4H4O4?
You can request a quote for C12H19NS.xC4H4O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H19NS.xC4H4O4?
Yes, KEHONG BIO provides custom synthesis services for C12H19NS.xC4H4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.