BAS 03996994
TL;DR: BAS 03996994 (CAS 482652-03-9) is a chemical compound with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 03996994, 2-({4-ethyl-5-[(4-methoxyphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-{4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-ylthio}acetamide
| Molecular Formula | C14H18N4O3S |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 1.463 |
| Topological Polar Surface Area | 92.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 322.10995 |
| Heavy Atoms | 22 |
| Complexity | 627.51825 |
Chemical Identifiers
| CAS Number | 482652-03-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)OC |
Product Overview
BAS 03996994 (CAS 482652-03-9), with molecular formula C14H18N4O3S and molecular weight 322.11 g/mol. IUPAC: 2-[[4-ethyl-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 03996994
Property Insights of BAS 03996994
The XLogP value of 1.463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03996994. The TPSA of 92.26 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 03996994. Following Lipinski's Rule of Five, BAS 03996994 has 1 hydrogen bond donor(s) and 6 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 03996994?
The CAS number of BAS 03996994 is 482652-03-9.
What is the molecular formula of BAS 03996994?
The molecular formula of BAS 03996994 is C14H18N4O3S.
What is the molecular weight of BAS 03996994?
The molecular weight of BAS 03996994 is 322.11 g/mol.
Where can I buy BAS 03996994?
You can request a quote for BAS 03996994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03996994?
Yes, KEHONG BIO provides custom synthesis services for BAS 03996994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.