AL-281/41043153
TL;DR: AL-281/41043153 (CAS 445262-27-1) is a chemical compound with molecular formula C19H21BrN2O3S2 and molecular weight 468.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-bromophenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
Also Known As: AL-281/41043153, ethyl 2-[(3-bromophenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate, ETHYL 2-{[(3-BROMOPHENYL)CARBAMOTHIOYL]AMINO}-5,5-DIMETHYL-4H,5H,7H-THIENO[2,3-C]PYRAN-3-CARBOXYLATE, ethyl 2-({[(3-bromophenyl)amino]carbonothioyl}amino)-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylate, ethyl 2-(3-(3-bromophenyl)thioureido)-5,5-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
| Molecular Formula | C19H21BrN2O3S2 |
|---|---|
| Molecular Weight | 468.02 g/mol |
| LogP | 5.3475 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.0177 |
| Heavy Atoms | 27 |
| Complexity | 879.8349 |
Chemical Identifiers
| CAS Number | 445262-27-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=S)NC3=CC(=CC=C3)Br |
Product Overview
AL-281/41043153 (CAS 445262-27-1), with molecular formula C19H21BrN2O3S2 and molecular weight 468.02 g/mol. IUPAC: ethyl 2-[(3-bromophenyl)carbamothioylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate.
Chemical Property Profile of AL-281/41043153
Property Insights of AL-281/41043153
The XLogP value of 5.3475 indicates that AL-281/41043153 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, AL-281/41043153 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AL-281/41043153 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AL-281/41043153?
The CAS number of AL-281/41043153 is 445262-27-1.
What is the molecular formula of AL-281/41043153?
The molecular formula of AL-281/41043153 is C19H21BrN2O3S2.
What is the molecular weight of AL-281/41043153?
The molecular weight of AL-281/41043153 is 468.02 g/mol.
Where can I buy AL-281/41043153?
You can request a quote for AL-281/41043153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/41043153?
Yes, KEHONG BIO provides custom synthesis services for AL-281/41043153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.