AB00092797-01
TL;DR: AB00092797-01 (CAS 321530-08-9) is a chemical compound with molecular formula C17H26N2O3S and molecular weight 338.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(propan-2-ylamino)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AB00092797-01, ethyl 2-{[N-(propan-2-yl)glycyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-(isopropylamino)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[[2-(propan-2-ylamino)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-{[(isopropylamino)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C17H26N2O3S |
|---|---|
| Molecular Weight | 338.17 g/mol |
| LogP | 3.1302 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1664 |
| Heavy Atoms | 23 |
| Complexity | 566.4299 |
Chemical Identifiers
| CAS Number | 321530-08-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CNC(C)C |
Product Overview
AB00092797-01 (CAS 321530-08-9), with molecular formula C17H26N2O3S and molecular weight 338.17 g/mol. IUPAC: ethyl 2-[[2-(propan-2-ylamino)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00092797-01
Property Insights of AB00092797-01
The XLogP value of 3.1302 indicates that AB00092797-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092797-01. Following Lipinski's Rule of Five, AB00092797-01 has 2 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 AB00092797-01?
The CAS number of AB00092797-01 is 321530-08-9.
What is the molecular formula of AB00092797-01?
The molecular formula of AB00092797-01 is C17H26N2O3S.
What is the molecular weight of AB00092797-01?
The molecular weight of AB00092797-01 is 338.17 g/mol.
Where can I buy AB00092797-01?
You can request a quote for AB00092797-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092797-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092797-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.