![2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid structure](/static/products/714/714927-53-4.png)
2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid
TL;DR: 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid (CAS 714927-53-4) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-ylcarbamoyl)benzoic acid
Also Known As: 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid, 2-(15-thia-13-azabicyclo[10.3.0]pentadeca-13,16-dien-14-ylcarbamoyl)benzoic Acid, 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-ylcarbamoyl)benzoic acid, 2-[(2Z)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2(3H)-ylidenecarbamoyl]benzoic acid
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 5.313 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 770.9744 |
Chemical Identifiers
| CAS Number | 714927-53-4 |
|---|---|
| SMILES | C1CCCCCC2=C(CCCC1)N=C(S2)NC(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid (CAS 714927-53-4), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: 2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-ylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid
Property Insights of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid
The XLogP value of 5.313 indicates that 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid. Following Lipinski's Rule of Five, 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid?
The CAS number of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid is 714927-53-4.
What is the molecular formula of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid?
The molecular formula of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid is C21H26N2O3S.
What is the molecular weight of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid?
The molecular weight of 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid is 386.17 g/mol.
Where can I buy 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid?
You can request a quote for 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]thiazol-2-yl)carbamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.