N-(2-Thienylsulfonyl)-L-phenylalanine
TL;DR: N-(2-Thienylsulfonyl)-L-phenylalanine (CAS 82068-17-5) is a chemical compound with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoic acid
Also Known As: N-(2-Thienylsulfonyl)-L-phenylalanine, BAS 03012105, N-(Thiophene-2-sulfonyl)-L-phenylalanine, Nalpha-(2-thiophenesulfonyl)-L-phenylalanine, (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoic acid
| Molecular Formula | C13H13NO4S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.0286 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 82068-17-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NS(=O)(=O)C2=CC=CS2 |
| InChIKey | NQNOZBXLAORQQT-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-Thienylsulfonyl)-L-phenylalanine (CAS 82068-17-5), with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol. IUPAC: (2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanoic acid.
Chemical Property Profile of N-(2-Thienylsulfonyl)-L-phenylalanine
Property Insights of N-(2-Thienylsulfonyl)-L-phenylalanine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Thienylsulfonyl)-L-phenylalanine. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Thienylsulfonyl)-L-phenylalanine. Following Lipinski's Rule of Five, N-(2-Thienylsulfonyl)-L-phenylalanine has 2 hydrogen bond donor(s) and 6 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 N-(2-Thienylsulfonyl)-L-phenylalanine?
The CAS number of N-(2-Thienylsulfonyl)-L-phenylalanine is 82068-17-5.
What is the molecular formula of N-(2-Thienylsulfonyl)-L-phenylalanine?
The molecular formula of N-(2-Thienylsulfonyl)-L-phenylalanine is C13H13NO4S2.
What is the molecular weight of N-(2-Thienylsulfonyl)-L-phenylalanine?
The molecular weight of N-(2-Thienylsulfonyl)-L-phenylalanine is 311.03 g/mol.
Where can I buy N-(2-Thienylsulfonyl)-L-phenylalanine?
You can request a quote for N-(2-Thienylsulfonyl)-L-phenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Thienylsulfonyl)-L-phenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Thienylsulfonyl)-L-phenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.