2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid
TL;DR: 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid (CAS 120824-80-8) is a chemical compound with molecular formula C20H23NO7S and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-3-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: Linotroban, CL 871502, 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid, Ethyl 3-(4-methylphenyl)sulfonyloxy-2-phenylmethoxycarbonylamino-propanoate, DL-Serine, N-((phenylmethoxy)carbonyl)-, ethyl ester, 4-methylbenzenesulfonate (ester)
| Molecular Formula | C20H23NO7S |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 421.11954 |
| Heavy Atoms | 29 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 120824-80-8 |
|---|---|
| SMILES | CCOC(=O)[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | GFSFXIOOUGXOOH-SFHVURJKSA-N |
Product Overview
2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid (CAS 120824-80-8), with molecular formula C20H23NO7S and molecular weight 421.12 g/mol. IUPAC: ethyl (2S)-3-(4-methylphenyl)sulfonyloxy-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid
Property Insights of 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid
The XLogP value of 3.1 indicates that 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid. Following Lipinski's Rule of Five, 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid has 1 hydrogen bond donor(s) and 7 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 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid?
The CAS number of 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid is 120824-80-8.
What is the molecular formula of 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid?
The molecular formula of 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid is C20H23NO7S.
What is the molecular weight of 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid?
The molecular weight of 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid is 421.12 g/mol.
Where can I buy 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid?
You can request a quote for 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(2-(Benzenesulfonamido)ethyl)thien-2-yloxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.