BAS 13389397
TL;DR: BAS 13389397 (CAS 878437-61-7) is a chemical compound with molecular formula C24H29N5O3S and molecular weight 467.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
Also Known As: BAS 13389397, 2-{[4-ethyl-5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(morpholin-4-yl)phenyl]acetamide, 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide, 2-[[4-Ethyl-5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl]thio]-N-[4-(4-morpholinyl)phenyl]acetamide, 2-[4-Ethyl-5-(4-methoxy-benzyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-morpholin-4-yl-phenyl)-acetamide
| Molecular Formula | C24H29N5O3S |
|---|---|
| Molecular Weight | 467.20 g/mol |
| LogP | 3.4648 |
| Topological Polar Surface Area | 81.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.1991 |
| Heavy Atoms | 33 |
| Complexity | 1046.9666 |
Chemical Identifiers
| CAS Number | 878437-61-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCOCC3)CC4=CC=C(C=C4)OC |
Product Overview
BAS 13389397 (CAS 878437-61-7), with molecular formula C24H29N5O3S and molecular weight 467.20 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
Chemical Property Profile of BAS 13389397
Property Insights of BAS 13389397
The XLogP value of 3.4648 indicates that BAS 13389397 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.51 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13389397. Following Lipinski's Rule of Five, BAS 13389397 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 13389397?
The CAS number of BAS 13389397 is 878437-61-7.
What is the molecular formula of BAS 13389397?
The molecular formula of BAS 13389397 is C24H29N5O3S.
What is the molecular weight of BAS 13389397?
The molecular weight of BAS 13389397 is 467.20 g/mol.
Where can I buy BAS 13389397?
You can request a quote for BAS 13389397 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13389397?
Yes, KEHONG BIO provides custom synthesis services for BAS 13389397 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.