A2565/0109305
TL;DR: A2565/0109305 (CAS 418792-49-1) is a chemical compound with molecular formula C19H20BrNO3S and molecular weight 421.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2565/0109305, ethyl 2-[(2-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-(2-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-{[(2-bromophenyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H20BrNO3S |
|---|---|
| Molecular Weight | 421.03 g/mol |
| LogP | 5.0644 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.03473 |
| Heavy Atoms | 25 |
| Complexity | 814.99567 |
Chemical Identifiers
| CAS Number | 418792-49-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC=CC=C3Br |
Product Overview
A2565/0109305 (CAS 418792-49-1), with molecular formula C19H20BrNO3S and molecular weight 421.03 g/mol. IUPAC: ethyl 2-[(2-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2565/0109305
Property Insights of A2565/0109305
The XLogP value of 5.0644 indicates that A2565/0109305 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A2565/0109305 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2565/0109305 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2565/0109305?
The CAS number of A2565/0109305 is 418792-49-1.
What is the molecular formula of A2565/0109305?
The molecular formula of A2565/0109305 is C19H20BrNO3S.
What is the molecular weight of A2565/0109305?
The molecular weight of A2565/0109305 is 421.03 g/mol.
Where can I buy A2565/0109305?
You can request a quote for A2565/0109305 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2565/0109305?
Yes, KEHONG BIO provides custom synthesis services for A2565/0109305 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.