BAS 00527632
TL;DR: BAS 00527632 (CAS 312316-07-7) is a chemical compound with molecular formula C20H18Cl2N4O2S and molecular weight 448.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: BAS 00527632, A1846/0077694, 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone, 4-({[5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)morpholine, 2-{[5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(MORPHOLIN-4-YL)ETHAN-1-ONE
| Molecular Formula | C20H18Cl2N4O2S |
|---|---|
| Molecular Weight | 448.05 g/mol |
| LogP | 4.192 |
| Topological Polar Surface Area | 60.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.05276 |
| Heavy Atoms | 29 |
| Complexity | 1006.9707 |
Chemical Identifiers
| CAS Number | 312316-07-7 |
|---|---|
| SMILES | C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
BAS 00527632 (CAS 312316-07-7), with molecular formula C20H18Cl2N4O2S and molecular weight 448.05 g/mol. IUPAC: 2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of BAS 00527632
Property Insights of BAS 00527632
The XLogP value of 4.192 indicates that BAS 00527632 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00527632. Following Lipinski's Rule of Five, BAS 00527632 has 0 hydrogen bond donor(s) and 5 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 00527632?
The CAS number of BAS 00527632 is 312316-07-7.
What is the molecular formula of BAS 00527632?
The molecular formula of BAS 00527632 is C20H18Cl2N4O2S.
What is the molecular weight of BAS 00527632?
The molecular weight of BAS 00527632 is 448.05 g/mol.
Where can I buy BAS 00527632?
You can request a quote for BAS 00527632 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00527632?
Yes, KEHONG BIO provides custom synthesis services for BAS 00527632 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.