4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid
TL;DR: 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid (CAS 696623-77-5) is a chemical compound with molecular formula C15H21NO7S and molecular weight 359.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,4,7-trioxa-10-azacyclododec-10-ylsulfonyl)benzoic acid
Also Known As: A3571/0151541, 4-(1,4,7-trioxa-10-azacyclododec-10-ylsulfonyl)benzoic acid, 4-((1,4,7-trioxa-10-azacyclododecan-10-yl)sulfonyl)benzoic acid, 4-(1,4,7-trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid, 4-(1,4,7-TRIOXA-10-AZACYCLODODECANE-10-SULFONYL)BENZOIC ACID
| Molecular Formula | C15H21NO7S |
|---|---|
| Molecular Weight | 359.10 g/mol |
| LogP | 0.4389 |
| Topological Polar Surface Area | 102.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.10388 |
| Heavy Atoms | 24 |
| Complexity | 617.7276 |
Chemical Identifiers
| CAS Number | 696623-77-5 |
|---|---|
| SMILES | C1COCCOCCOCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid (CAS 696623-77-5), with molecular formula C15H21NO7S and molecular weight 359.10 g/mol. IUPAC: 4-(1,4,7-trioxa-10-azacyclododec-10-ylsulfonyl)benzoic acid.
Chemical Property Profile of 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid
Property Insights of 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid
The XLogP value of 0.4389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid. The TPSA of 102.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid has 1 hydrogen bond donor(s) and 6 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-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid?
The CAS number of 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid is 696623-77-5.
What is the molecular formula of 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid?
The molecular formula of 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid is C15H21NO7S.
What is the molecular weight of 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid?
The molecular weight of 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid is 359.10 g/mol.
Where can I buy 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid?
You can request a quote for 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,4,7-Trioxa-10-azacyclododecan-10-ylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.