SMU127
TL;DR: SMU127 (CAS 903864-87-9) is a chemical compound with molecular formula C16H23N3O3S and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-[(4-methylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Ethyl 2-(4-methylpiperazine-1-carboxamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-{[(4-methylpiperazin-1-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, Ethyl 3-[(4-methylpiperazine-1-carbonyl)amino]-4-thiabicyclo[3.3.0]octa-2,9-diene-2-carboxylate, N/A
| Molecular Formula | C16H23N3O3S |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 2.1928 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.14603 |
| Heavy Atoms | 23 |
| Complexity | 605.9568 |
Chemical Identifiers
| CAS Number | 903864-87-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)N3CCN(CC3)C |
Product Overview
SMU127 (CAS 903864-87-9), with molecular formula C16H23N3O3S and molecular weight 337.15 g/mol. IUPAC: ethyl 2-[(4-methylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of SMU127
Property Insights of SMU127
The XLogP value of 2.1928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SMU127. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for SMU127. Following Lipinski's Rule of Five, SMU127 has 1 hydrogen bond donor(s) and 5 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 SMU127?
The CAS number of SMU127 is 903864-87-9.
What is the molecular formula of SMU127?
The molecular formula of SMU127 is C16H23N3O3S.
What is the molecular weight of SMU127?
The molecular weight of SMU127 is 337.15 g/mol.
Where can I buy SMU127?
You can request a quote for SMU127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SMU127?
Yes, KEHONG BIO provides custom synthesis services for SMU127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.