(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid
TL;DR: (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid (CAS 63339-68-4) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-5-methyl-7-thia-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid
Also Known As: Chuangxinmycin, Chuanghsinmycin, (-)-chuangxinmycin, Creatmycin, (-)-(4S,5R)-chuangxinmycin
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 2.8303 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 575.40247 |
Chemical Identifiers
| CAS Number | 63339-68-4 |
|---|---|
| SMILES | C[C@@H]1[C@@H](SC2=CC=CC3=C2C1=CN3)C(=O)O |
Product Overview
(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid (CAS 63339-68-4), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: (5S,6R)-5-methyl-7-thia-2-azatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid.
Chemical Property Profile of (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid
Property Insights of (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid
The XLogP value of 2.8303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid. With a topological polar surface area (TPSA) of 53.09 Ų, (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid?
The CAS number of (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid is 63339-68-4.
What is the molecular formula of (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid?
The molecular formula of (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid is C12H11NO2S.
What is the molecular weight of (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid?
The molecular weight of (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid is 233.05 g/mol.
Where can I buy (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid?
You can request a quote for (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano(4,3,2-cd)indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.