![4-[(庚基磺酰基)氨基]苯甲酸 structure](/static/products/852/85280-61-1.png)
4-[(庚基磺酰基)氨基]苯甲酸
TL;DR: 4-[(庚基磺酰基)氨基]苯甲酸 (CAS 85280-61-1) is a chemical compound with molecular formula C14H21NO4S and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(庚基磺酰基)氨基]苯甲酸
4-(heptylsulfonylamino)benzoic acid
Also Known As: 4-[(heptylsulfonyl)amino]benzoic acid, 4-(heptylsulfonylamino)benzoic acid, 4-(Heptane-1-sulfonamido)benzoic acid
| Molecular Formula | C14H21NO4S |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 299.11914 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 85280-61-1 |
|---|---|
| SMILES | CCCCCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | DMIYEZSENOLXIP-UHFFFAOYSA-N |
Product Overview
4-[(庚基磺酰基)氨基]苯甲酸 (CAS 85280-61-1), with molecular formula C14H21NO4S and molecular weight 299.12 g/mol. IUPAC: 4-(heptylsulfonylamino)benzoic acid.
Chemical Property Profile of 4-[(庚基磺酰基)氨基]苯甲酸
Property Insights of 4-[(庚基磺酰基)氨基]苯甲酸
The XLogP value of 3.3 indicates that 4-[(庚基磺酰基)氨基]苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(庚基磺酰基)氨基]苯甲酸. Following Lipinski's Rule of Five, 4-[(庚基磺酰基)氨基]苯甲酸 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 4-[(庚基磺酰基)氨基]苯甲酸?
The CAS number of 4-[(庚基磺酰基)氨基]苯甲酸 is 85280-61-1.
What is the molecular formula of 4-[(庚基磺酰基)氨基]苯甲酸?
The molecular formula of 4-[(庚基磺酰基)氨基]苯甲酸 is C14H21NO4S.
What is the molecular weight of 4-[(庚基磺酰基)氨基]苯甲酸?
The molecular weight of 4-[(庚基磺酰基)氨基]苯甲酸 is 299.12 g/mol.
Where can I buy 4-[(庚基磺酰基)氨基]苯甲酸?
You can request a quote for 4-[(庚基磺酰基)氨基]苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(庚基磺酰基)氨基]苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-[(庚基磺酰基)氨基]苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.