4-烯丙氨基水杨酸
TL;DR: 4-烯丙氨基水杨酸 (CAS 647831-58-1) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-烯丙氨基水杨酸
2-hydroxy-4-(prop-2-enylamino)benzoic acid
Also Known As: 4-Allylaminosalicylic acid, N-allylp-aminosalicylic acid, 4-(allylamino)-2-hydroxy-benzoic acid, SALICYLIC ACID, 4-(ALLYLAMINO)-, Salicylic acid, 4-(allylamino)- (5CI)
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 647831-58-1 |
|---|---|
| SMILES | C=CCNC1=CC(=C(C=C1)C(=O)O)O |
| InChIKey | XQHIHFJGEQVTGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-烯丙氨基水杨酸 (CAS 647831-58-1), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 2-hydroxy-4-(prop-2-enylamino)benzoic acid.
Chemical Property Profile of 4-烯丙氨基水杨酸
Property Insights of 4-烯丙氨基水杨酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-烯丙氨基水杨酸. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-烯丙氨基水杨酸. Following Lipinski's Rule of Five, 4-烯丙氨基水杨酸 has 3 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 4-烯丙氨基水杨酸?
The CAS number of 4-烯丙氨基水杨酸 is 647831-58-1.
What is the molecular formula of 4-烯丙氨基水杨酸?
The molecular formula of 4-烯丙氨基水杨酸 is C10H11NO3.
What is the molecular weight of 4-烯丙氨基水杨酸?
The molecular weight of 4-烯丙氨基水杨酸 is 193.07 g/mol.
Where can I buy 4-烯丙氨基水杨酸?
You can request a quote for 4-烯丙氨基水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-烯丙氨基水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 4-烯丙氨基水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.