((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid
TL;DR: ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid (CAS 86709-13-9) is a chemical compound with molecular formula C13H21NO2S and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'S,2R,4'S,5'R)-4'-methyl-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-bicyclo[3.1.0]hexane]-4-carboxylic acid
Also Known As: ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid, Spiro(bicyclo(3.1.0)hexane-3,2'-thiazolidine)-4'-carboxylic acid,4-methyl-1-(1-methylethyl)-, (1S-(1alpha,3alpha(S*),4beta,5alpha))-, (1'R,2R,2'S,5'S)-2'-methyl-5'-propan-2-ylspiro[1,3-thiazolidine-2,3'-bicyclo[3.1.0]hexane]-4-carboxylic acid, (1S,2'R,4S,5R)-4-Methyl-1-(propan-2-yl)spiro[bicyclo[3.1.0]hexane-3,2'-[1,3]thiazolidine]-4'-carboxylic acid, 4-Methyl-1-(propan-2-yl)spiro[bicyclo[3.1.0]hexane-3,2'-[1,3]thiazolidine]-4'-carboxylic acid
| Molecular Formula | C13H21NO2S |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.1293 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 86709-13-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2C[C@]2(C[C@]13NC(CS3)C(=O)O)C(C)C |
| InChIKey | MAYMZVFWKSAOAE-WMGWSHTNSA-N |
Product Overview
((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid (CAS 86709-13-9), with molecular formula C13H21NO2S and molecular weight 255.13 g/mol. IUPAC: (1'S,2R,4'S,5'R)-4'-methyl-1'-propan-2-ylspiro[1,3-thiazolidine-2,3'-bicyclo[3.1.0]hexane]-4-carboxylic acid.
Chemical Property Profile of ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid
Property Insights of ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid. Following Lipinski's Rule of Five, ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid has 2 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 ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid?
The CAS number of ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid is 86709-13-9.
What is the molecular formula of ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid?
The molecular formula of ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid is C13H21NO2S.
What is the molecular weight of ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid?
The molecular weight of ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid is 255.13 g/mol.
Where can I buy ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid?
You can request a quote for ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid?
Yes, KEHONG BIO provides custom synthesis services for ((+)-Thujane)-3-spiro-2'-thiazolidine-4'-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.