![2-[4-(苯乙氨基)苯基]磺酰基乙酸 structure](/static/products/6535/653588-51-3.webp)
2-[4-(苯乙氨基)苯基]磺酰基乙酸
TL;DR: 2-[4-(苯乙氨基)苯基]磺酰基乙酸 (CAS 653588-51-3) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(苯乙氨基)苯基]磺酰基乙酸
2-[4-(2-phenylethylamino)phenyl]sulfonylacetic acid
Also Known As: 2-[4-(phenethylamino)phenyl]sulfonylacetic acid, 2-[4-(2-phenylethylamino)phenyl]sulfonylacetic acid, (4-Phenethylamino-benzenesulfonyl)-acetic acid, Acetic acid, [[4-[(2-phenylethyl)amino]phenyl]sulfonyl]-, {4-[(2-Phenylethyl)amino]benzene-1-sulfonyl}acetic acid
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 653588-51-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=CC=C(C=C2)S(=O)(=O)CC(=O)O |
| InChIKey | MQLDEGZWADXDRG-UHFFFAOYSA-N |
Product Overview
2-[4-(苯乙氨基)苯基]磺酰基乙酸 (CAS 653588-51-3), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 2-[4-(2-phenylethylamino)phenyl]sulfonylacetic acid.
Chemical Property Profile of 2-[4-(苯乙氨基)苯基]磺酰基乙酸
Property Insights of 2-[4-(苯乙氨基)苯基]磺酰基乙酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(苯乙氨基)苯基]磺酰基乙酸. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(苯乙氨基)苯基]磺酰基乙酸. Following Lipinski's Rule of Five, 2-[4-(苯乙氨基)苯基]磺酰基乙酸 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 2-[4-(苯乙氨基)苯基]磺酰基乙酸?
The CAS number of 2-[4-(苯乙氨基)苯基]磺酰基乙酸 is 653588-51-3.
What is the molecular formula of 2-[4-(苯乙氨基)苯基]磺酰基乙酸?
The molecular formula of 2-[4-(苯乙氨基)苯基]磺酰基乙酸 is C16H17NO4S.
What is the molecular weight of 2-[4-(苯乙氨基)苯基]磺酰基乙酸?
The molecular weight of 2-[4-(苯乙氨基)苯基]磺酰基乙酸 is 319.09 g/mol.
Where can I buy 2-[4-(苯乙氨基)苯基]磺酰基乙酸?
You can request a quote for 2-[4-(苯乙氨基)苯基]磺酰基乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(苯乙氨基)苯基]磺酰基乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(苯乙氨基)苯基]磺酰基乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.