BAS 02323773
TL;DR: BAS 02323773 (CAS 335397-59-6) is a chemical compound with molecular formula C22H25N5O4S3 and molecular weight 519.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 02323773, 2-{2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetylamino}-4,5,6,7-tetrahydro-benzo[b]thiophene-, 2-((5-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide, ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[(5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]methyl}-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H25N5O4S3 |
|---|---|
| Molecular Weight | 519.11 g/mol |
| LogP | 4.61654 |
| Topological Polar Surface Area | 120.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 519.1069 |
| Heavy Atoms | 34 |
| Complexity | 1173.166 |
Chemical Identifiers
| CAS Number | 335397-59-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NN=C(O3)CSC4=NC(=CC(=N4)C)C |
Product Overview
BAS 02323773 (CAS 335397-59-6), with molecular formula C22H25N5O4S3 and molecular weight 519.11 g/mol. IUPAC: ethyl 2-[[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 02323773
Property Insights of BAS 02323773
The XLogP value of 4.61654 indicates that BAS 02323773 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02323773. Following Lipinski's Rule of Five, BAS 02323773 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02323773?
The CAS number of BAS 02323773 is 335397-59-6.
What is the molecular formula of BAS 02323773?
The molecular formula of BAS 02323773 is C22H25N5O4S3.
What is the molecular weight of BAS 02323773?
The molecular weight of BAS 02323773 is 519.11 g/mol.
Where can I buy BAS 02323773?
You can request a quote for BAS 02323773 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02323773?
Yes, KEHONG BIO provides custom synthesis services for BAS 02323773 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.