BAS 00311442
TL;DR: BAS 00311442 (CAS 313663-49-9) is a chemical compound with molecular formula C20H26N2O2S and molecular weight 358.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(dimethylamino)phenyl]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00311442, AH-262/34343028, ethyl 2-{[4-(dimethylamino)benzyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-((4-(dimethylamino)benzyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-({[4-(DIMETHYLAMINO)PHENYL]METHYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C20H26N2O2S |
|---|---|
| Molecular Weight | 358.17 g/mol |
| LogP | 4.4817 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1715 |
| Heavy Atoms | 25 |
| Complexity | 734.8996 |
Chemical Identifiers
| CAS Number | 313663-49-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NCC3=CC=C(C=C3)N(C)C |
Product Overview
BAS 00311442 (CAS 313663-49-9), with molecular formula C20H26N2O2S and molecular weight 358.17 g/mol. IUPAC: ethyl 2-[[4-(dimethylamino)phenyl]methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00311442
Property Insights of BAS 00311442
The XLogP value of 4.4817 indicates that BAS 00311442 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, BAS 00311442 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00311442 has 1 hydrogen bond donor(s) and 5 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 00311442?
The CAS number of BAS 00311442 is 313663-49-9.
What is the molecular formula of BAS 00311442?
The molecular formula of BAS 00311442 is C20H26N2O2S.
What is the molecular weight of BAS 00311442?
The molecular weight of BAS 00311442 is 358.17 g/mol.
Where can I buy BAS 00311442?
You can request a quote for BAS 00311442 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00311442?
Yes, KEHONG BIO provides custom synthesis services for BAS 00311442 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.