Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate
TL;DR: Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate (CAS 5202-91-5) is a chemical compound with molecular formula C14H24N2O4S and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]-3-methylpentanoate
Also Known As: Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate, methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]-3-methylpentanoate
| Molecular Formula | C14H24N2O4S |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.1457 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 5202-91-5 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC)NC(=O)C1CSC(N1C=O)(C)C |
| InChIKey | SMJHXRNGHOVVQS-UHFFFAOYSA-N |
Product Overview
Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate (CAS 5202-91-5), with molecular formula C14H24N2O4S and molecular weight 316.15 g/mol. IUPAC: methyl 2-[(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)amino]-3-methylpentanoate.
Chemical Property Profile of Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate
Property Insights of Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate. Following Lipinski's Rule of Five, Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate has 1 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 Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate?
The CAS number of Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate is 5202-91-5.
What is the molecular formula of Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate?
The molecular formula of Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate is C14H24N2O4S.
What is the molecular weight of Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate?
The molecular weight of Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate is 316.15 g/mol.
Where can I buy Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate?
You can request a quote for Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl N-(3-formyl-2,2-dimethyl-1,3-thiazolidine-4-carbonyl)isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.