A2028/0085171
TL;DR: A2028/0085171 (CAS 329068-22-6) is a chemical compound with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide
Also Known As: A2028/0085171, 4-methyl-N-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide, (4-methylphenyl)-N-[3-(pyrrolidinylcarbonyl)(4,5,6,7,8-pentahydrocyclohepta[2, 1-d]thiophen-2-yl)]carboxamide, 4-methyl-N-[3-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]benzamide, 4-methyl-N-[3-(pyrrolidin-1-ylcarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide
| Molecular Formula | C22H26N2O2S |
|---|---|
| Molecular Weight | 382.17 g/mol |
| LogP | 4.81372 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.1715 |
| Heavy Atoms | 27 |
| Complexity | 847.9429 |
Chemical Identifiers
| CAS Number | 329068-22-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N4CCCC4 |
Product Overview
A2028/0085171 (CAS 329068-22-6), with molecular formula C22H26N2O2S and molecular weight 382.17 g/mol. IUPAC: 4-methyl-N-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide.
Chemical Property Profile of A2028/0085171
Property Insights of A2028/0085171
The XLogP value of 4.81372 indicates that A2028/0085171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, A2028/0085171 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2028/0085171 has 1 hydrogen bond donor(s) and 3 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 A2028/0085171?
The CAS number of A2028/0085171 is 329068-22-6.
What is the molecular formula of A2028/0085171?
The molecular formula of A2028/0085171 is C22H26N2O2S.
What is the molecular weight of A2028/0085171?
The molecular weight of A2028/0085171 is 382.17 g/mol.
Where can I buy A2028/0085171?
You can request a quote for A2028/0085171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2028/0085171?
Yes, KEHONG BIO provides custom synthesis services for A2028/0085171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.