BAS 03754822
TL;DR: BAS 03754822 (CAS 446280-91-7) is a chemical compound with molecular formula C20H31N3O4S and molecular weight 409.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 03754822, ethyl 2-{2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamido}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AP-906/41027741, ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[4-(2-hydroxyethyl)-1-piperazinyl]acetyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H31N3O4S |
|---|---|
| Molecular Weight | 409.20 g/mol |
| LogP | 1.598 |
| Topological Polar Surface Area | 82.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.20352 |
| Heavy Atoms | 28 |
| Complexity | 697.8681 |
Chemical Identifiers
| CAS Number | 446280-91-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3CCN(CC3)CCO |
Product Overview
BAS 03754822 (CAS 446280-91-7), with molecular formula C20H31N3O4S and molecular weight 409.20 g/mol. IUPAC: ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 03754822
Property Insights of BAS 03754822
The XLogP value of 1.598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03754822. The TPSA of 82.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03754822. Following Lipinski's Rule of Five, BAS 03754822 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 BAS 03754822?
The CAS number of BAS 03754822 is 446280-91-7.
What is the molecular formula of BAS 03754822?
The molecular formula of BAS 03754822 is C20H31N3O4S.
What is the molecular weight of BAS 03754822?
The molecular weight of BAS 03754822 is 409.20 g/mol.
Where can I buy BAS 03754822?
You can request a quote for BAS 03754822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03754822?
Yes, KEHONG BIO provides custom synthesis services for BAS 03754822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.