DL-Indoline-2-carboxylic acid methyl ester
TL;DR: DL-Indoline-2-carboxylic acid methyl ester (CAS 590400-22-9) is a chemical compound with molecular formula C23H20ClN5O6S3 and molecular weight 593.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide
Also Known As: DL-Indoline-2-carboxylic acid methyl ester, 3-chloro-N-({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide, benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-6-methoxy-, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]-6-methoxy- (9CI), 3-Chloro-N-({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}car bamothioyl)-6-methoxy-1-benzothiophene-2-carboxamide
| Molecular Formula | C23H20ClN5O6S3 |
|---|---|
| Molecular Weight | 593.03 g/mol |
| LogP | 4.2981 |
| Topological Polar Surface Area | 140.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 593.0264 |
| Heavy Atoms | 38 |
| Complexity | 1604.5612 |
Chemical Identifiers
| CAS Number | 590400-22-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=NC(=N4)OC)OC)Cl |
Product Overview
DL-Indoline-2-carboxylic acid methyl ester (CAS 590400-22-9), with molecular formula C23H20ClN5O6S3 and molecular weight 593.03 g/mol. IUPAC: 3-chloro-N-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide.
Chemical Property Profile of DL-Indoline-2-carboxylic acid methyl ester
Property Insights of DL-Indoline-2-carboxylic acid methyl ester
The XLogP value of 4.2981 indicates that DL-Indoline-2-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.77 Ų indicates high polarity, suggesting DL-Indoline-2-carboxylic acid methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DL-Indoline-2-carboxylic acid methyl ester has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DL-Indoline-2-carboxylic acid methyl ester?
The CAS number of DL-Indoline-2-carboxylic acid methyl ester is 590400-22-9.
What is the molecular formula of DL-Indoline-2-carboxylic acid methyl ester?
The molecular formula of DL-Indoline-2-carboxylic acid methyl ester is C23H20ClN5O6S3.
What is the molecular weight of DL-Indoline-2-carboxylic acid methyl ester?
The molecular weight of DL-Indoline-2-carboxylic acid methyl ester is 593.03 g/mol.
Where can I buy DL-Indoline-2-carboxylic acid methyl ester?
You can request a quote for DL-Indoline-2-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-Indoline-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for DL-Indoline-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.