![ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate structure](/static/products/497/497082-10-7.png)
ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
TL;DR: ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate (CAS 497082-10-7) is a chemical compound with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
Also Known As: ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate, ethyl 4-({3-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate, ethyl 4-(3-((4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)propanamido)benzoate, ethyl 4-[3-(4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylth io)propanoylamino]benzoate, ethyl 4-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
| Molecular Formula | C22H23N3O4S2 |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 4.161 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.113 |
| Heavy Atoms | 31 |
| Complexity | 1167.953 |
Chemical Identifiers
| CAS Number | 497082-10-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2 |
Product Overview
ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate (CAS 497082-10-7), with molecular formula C22H23N3O4S2 and molecular weight 457.11 g/mol. IUPAC: ethyl 4-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate.
Chemical Property Profile of ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Property Insights of ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
The XLogP value of 4.161 indicates that ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 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 ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate?
The CAS number of ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate is 497082-10-7.
What is the molecular formula of ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate?
The molecular formula of ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate is C22H23N3O4S2.
What is the molecular weight of ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate?
The molecular weight of ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate is 457.11 g/mol.
Where can I buy ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate?
You can request a quote for ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({3-[(4-hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.