BAS 01029688
TL;DR: BAS 01029688 (CAS 333778-10-2) is a chemical compound with molecular formula C26H27NO5S and molecular weight 465.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 01029688, Ethyl 2-(2-(4-(benzyloxy)phenoxy)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 2-[2-(4-Benzyloxy-phenoxy)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester, ethyl 2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{2-[4-(phenylmethoxy)phenoxy]acetylamino}-4,5,6,7-tetrahydrobenzo[b]th iophene-3-carboxylate
| Molecular Formula | C26H27NO5S |
|---|---|
| Molecular Weight | 465.16 g/mol |
| LogP | 5.4001 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.16098 |
| Heavy Atoms | 33 |
| Complexity | 1091.875 |
Chemical Identifiers
| CAS Number | 333778-10-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
BAS 01029688 (CAS 333778-10-2), with molecular formula C26H27NO5S and molecular weight 465.16 g/mol. IUPAC: ethyl 2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 01029688
Property Insights of BAS 01029688
The XLogP value of 5.4001 indicates that BAS 01029688 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01029688. Following Lipinski's Rule of Five, BAS 01029688 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01029688?
The CAS number of BAS 01029688 is 333778-10-2.
What is the molecular formula of BAS 01029688?
The molecular formula of BAS 01029688 is C26H27NO5S.
What is the molecular weight of BAS 01029688?
The molecular weight of BAS 01029688 is 465.16 g/mol.
Where can I buy BAS 01029688?
You can request a quote for BAS 01029688 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01029688?
Yes, KEHONG BIO provides custom synthesis services for BAS 01029688 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.