![ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate structure](/static/products/4894/489471-12-7.webp)
ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
TL;DR: ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate (CAS 489471-12-7) is a chemical compound with molecular formula C28H28N4O5S3 and molecular weight 596.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzothiazol-2-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Also Known As: ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate, F0539-2064, ethyl 3-(1,3-benzothiazol-2-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-2-[4-(pyrrolidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-6-carboxylate
| Molecular Formula | C28H28N4O5S3 |
|---|---|
| Molecular Weight | 596.12 g/mol |
| LogP | 5.5762 |
| Topological Polar Surface Area | 108.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.1222 |
| Heavy Atoms | 40 |
| Complexity | 1655.5096 |
Chemical Identifiers
| CAS Number | 489471-12-7 |
|---|---|
| SMILES | CCOC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCCC6 |
Product Overview
ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate (CAS 489471-12-7), with molecular formula C28H28N4O5S3 and molecular weight 596.12 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
Chemical Property Profile of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
Property Insights of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate
The XLogP value of 5.5762 indicates that ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
The CAS number of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate is 489471-12-7.
What is the molecular formula of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
The molecular formula of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate is C28H28N4O5S3.
What is the molecular weight of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
The molecular weight of ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate is 596.12 g/mol.
Where can I buy ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
You can request a quote for ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(benzo[d]thiazol-2-yl)-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5-dihydrothieno[2,3-c]pyridine-6(7H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.