BAS 08858539
TL;DR: BAS 08858539 (CAS 701948-17-6) is a chemical compound with molecular formula C16H18Cl2N4OS and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-[2-methyl-1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide
Also Known As: BAS 08858539, AN-698/42587977, 2,4-dichloro-N-[2-methyl-1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide, N-[1-(4-allyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-2,4-dichlorobenzamide
| Molecular Formula | C16H18Cl2N4OS |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 4.56059 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.05783 |
| Heavy Atoms | 24 |
| Complexity | 812.649 |
Chemical Identifiers
| CAS Number | 701948-17-6 |
|---|---|
| SMILES | CC(C)C(C1=NNC(=S)N1CC=C)NC(=O)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
BAS 08858539 (CAS 701948-17-6), with molecular formula C16H18Cl2N4OS and molecular weight 384.06 g/mol. IUPAC: 2,4-dichloro-N-[2-methyl-1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)propyl]benzamide.
Chemical Property Profile of BAS 08858539
Property Insights of BAS 08858539
The XLogP value of 4.56059 indicates that BAS 08858539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08858539. Following Lipinski's Rule of Five, BAS 08858539 has 2 hydrogen bond donor(s) and 3 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 08858539?
The CAS number of BAS 08858539 is 701948-17-6.
What is the molecular formula of BAS 08858539?
The molecular formula of BAS 08858539 is C16H18Cl2N4OS.
What is the molecular weight of BAS 08858539?
The molecular weight of BAS 08858539 is 384.06 g/mol.
Where can I buy BAS 08858539?
You can request a quote for BAS 08858539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 08858539?
Yes, KEHONG BIO provides custom synthesis services for BAS 08858539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.