BAS 03204415
TL;DR: BAS 03204415 (CAS 491645-91-1) is a chemical compound with molecular formula C23H25N5O2S2 and molecular weight 467.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 03204415, ASN 03204415, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({4-ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H25N5O2S2 |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 4.7282 |
| Topological Polar Surface Area | 92.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.14496 |
| Heavy Atoms | 32 |
| Complexity | 1161.8362 |
Chemical Identifiers
| CAS Number | 491645-91-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)COC4=CC=CC=C4C |
Product Overview
BAS 03204415 (CAS 491645-91-1), with molecular formula C23H25N5O2S2 and molecular weight 467.14 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-ethyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 03204415
Property Insights of BAS 03204415
The XLogP value of 4.7282 indicates that BAS 03204415 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03204415. Following Lipinski's Rule of Five, BAS 03204415 has 1 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 03204415?
The CAS number of BAS 03204415 is 491645-91-1.
What is the molecular formula of BAS 03204415?
The molecular formula of BAS 03204415 is C23H25N5O2S2.
What is the molecular weight of BAS 03204415?
The molecular weight of BAS 03204415 is 467.14 g/mol.
Where can I buy BAS 03204415?
You can request a quote for BAS 03204415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03204415?
Yes, KEHONG BIO provides custom synthesis services for BAS 03204415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.