AB00092776-01
TL;DR: AB00092776-01 (CAS 76981-94-7) is a chemical compound with molecular formula C18H26N2O4S and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AB00092776-01, ethyl 2-[(morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-morpholinoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(4-morpholinylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C18H26N2O4S |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 2.4644 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.16132 |
| Heavy Atoms | 25 |
| Complexity | 622.8374 |
Chemical Identifiers
| CAS Number | 76981-94-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CN3CCOCC3 |
Product Overview
AB00092776-01 (CAS 76981-94-7), with molecular formula C18H26N2O4S and molecular weight 366.16 g/mol. IUPAC: ethyl 2-[(2-morpholin-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00092776-01
Property Insights of AB00092776-01
The XLogP value of 2.4644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00092776-01. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00092776-01. Following Lipinski's Rule of Five, AB00092776-01 has 1 hydrogen bond donor(s) and 6 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 AB00092776-01?
The CAS number of AB00092776-01 is 76981-94-7.
What is the molecular formula of AB00092776-01?
The molecular formula of AB00092776-01 is C18H26N2O4S.
What is the molecular weight of AB00092776-01?
The molecular weight of AB00092776-01 is 366.16 g/mol.
Where can I buy AB00092776-01?
You can request a quote for AB00092776-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00092776-01?
Yes, KEHONG BIO provides custom synthesis services for AB00092776-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.