A2330/0098309
TL;DR: A2330/0098309 (CAS 352317-38-5) is a chemical compound with molecular formula C20H26F3N3O3S and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate
Also Known As: A2330/0098309, ethyl 2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-3,3,3-trifluoro-2-(3-methylbutanamido)propanoate, ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate, ETHYL 2-({3-CYANO-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHEN-2-YL}AMINO)-3,3,3-TRIFLUORO-2-(3-METHYLBUTANAMIDO)PROPANOATE, ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]propanoate
| Molecular Formula | C20H26F3N3O3S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 4.28458 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.1647 |
| Heavy Atoms | 30 |
| Complexity | 829.73376 |
Chemical Identifiers
| CAS Number | 352317-38-5 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)CC(C)C |
Product Overview
A2330/0098309 (CAS 352317-38-5), with molecular formula C20H26F3N3O3S and molecular weight 445.16 g/mol. IUPAC: ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate.
Chemical Property Profile of A2330/0098309
Property Insights of A2330/0098309
The XLogP value of 4.28458 indicates that A2330/0098309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for A2330/0098309. Following Lipinski's Rule of Five, A2330/0098309 has 2 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 A2330/0098309?
The CAS number of A2330/0098309 is 352317-38-5.
What is the molecular formula of A2330/0098309?
The molecular formula of A2330/0098309 is C20H26F3N3O3S.
What is the molecular weight of A2330/0098309?
The molecular weight of A2330/0098309 is 445.16 g/mol.
Where can I buy A2330/0098309?
You can request a quote for A2330/0098309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2330/0098309?
Yes, KEHONG BIO provides custom synthesis services for A2330/0098309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.