BAS 02758107
TL;DR: BAS 02758107 (CAS 444058-63-3) is a chemical compound with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide
Also Known As: BAS 02758107, AN-988/40764242, N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide, N-(2-((2-((3,4-dimethoxyphenethyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)propionamide, N-[2-({N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methylthio)benzothiazol-6-yl] propanamide
| Molecular Formula | C22H25N3O4S2 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 4.113 |
| Topological Polar Surface Area | 89.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 459.12866 |
| Heavy Atoms | 31 |
| Complexity | 1068.0907 |
Chemical Identifiers
| CAS Number | 444058-63-3 |
|---|---|
| SMILES | CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
BAS 02758107 (CAS 444058-63-3), with molecular formula C22H25N3O4S2 and molecular weight 459.13 g/mol. IUPAC: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide.
Chemical Property Profile of BAS 02758107
Property Insights of BAS 02758107
The XLogP value of 4.113 indicates that BAS 02758107 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02758107. Following Lipinski's Rule of Five, BAS 02758107 has 2 hydrogen bond donor(s) and 7 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 BAS 02758107?
The CAS number of BAS 02758107 is 444058-63-3.
What is the molecular formula of BAS 02758107?
The molecular formula of BAS 02758107 is C22H25N3O4S2.
What is the molecular weight of BAS 02758107?
The molecular weight of BAS 02758107 is 459.13 g/mol.
Where can I buy BAS 02758107?
You can request a quote for BAS 02758107 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02758107?
Yes, KEHONG BIO provides custom synthesis services for BAS 02758107 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.