苯胺;2-苯氨基-2-氧代乙磺酸
TL;DR: 苯胺;2-苯氨基-2-氧代乙磺酸 (CAS 116401-71-9) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯胺;2-苯氨基-2-氧代乙磺酸
aniline;2-anilino-2-oxoethanesulfonic acid
Also Known As: aniline; 2-anilino-2-oxoethanesulfonic acid, phenylcarbamoyl-methanesulfonic acid compound with aniline, phenylcarbamoyl-methanesulfonic acid ; compound with aniline
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.7817 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 116401-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C=C1)NC(=O)CS(=O)(=O)O |
| InChIKey | DLRVYFYFLATFST-UHFFFAOYSA-N |
Product Overview
苯胺;2-苯氨基-2-氧代乙磺酸 (CAS 116401-71-9), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: aniline;2-anilino-2-oxoethanesulfonic acid.
Chemical Property Profile of 苯胺;2-苯氨基-2-氧代乙磺酸
Property Insights of 苯胺;2-苯氨基-2-氧代乙磺酸
The XLogP value of 1.7817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯胺;2-苯氨基-2-氧代乙磺酸. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯胺;2-苯氨基-2-氧代乙磺酸. Following Lipinski's Rule of Five, 苯胺;2-苯氨基-2-氧代乙磺酸 has 3 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 苯胺;2-苯氨基-2-氧代乙磺酸?
The CAS number of 苯胺;2-苯氨基-2-氧代乙磺酸 is 116401-71-9.
What is the molecular formula of 苯胺;2-苯氨基-2-氧代乙磺酸?
The molecular formula of 苯胺;2-苯氨基-2-氧代乙磺酸 is C14H16N2O4S.
What is the molecular weight of 苯胺;2-苯氨基-2-氧代乙磺酸?
The molecular weight of 苯胺;2-苯氨基-2-氧代乙磺酸 is 308.08 g/mol.
Where can I buy 苯胺;2-苯氨基-2-氧代乙磺酸?
You can request a quote for 苯胺;2-苯氨基-2-氧代乙磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯胺;2-苯氨基-2-氧代乙磺酸?
Yes, KEHONG BIO provides custom synthesis services for 苯胺;2-苯氨基-2-氧代乙磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.