BAS 01810004
TL;DR: BAS 01810004 (CAS 315230-05-8) is a chemical compound with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
Also Known As: BAS 01810004, 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide, (E)-2-((5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2,4,6-trimethoxybenzylidene)acetohydrazide, 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide, 2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-(2,4,6-trimethoxyphenyl)methylidene]acetohydrazide
| Molecular Formula | C27H27N5O5S |
|---|---|
| Molecular Weight | 533.17 g/mol |
| LogP | 4.2111 |
| Topological Polar Surface Area | 109.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 533.1733 |
| Heavy Atoms | 38 |
| Complexity | 1382.388 |
Chemical Identifiers
| CAS Number | 315230-05-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=C(C=C(C=C4OC)OC)OC |
Product Overview
BAS 01810004 (CAS 315230-05-8), with molecular formula C27H27N5O5S and molecular weight 533.17 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of BAS 01810004
Property Insights of BAS 01810004
The XLogP value of 4.2111 indicates that BAS 01810004 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01810004. Following Lipinski's Rule of Five, BAS 01810004 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01810004?
The CAS number of BAS 01810004 is 315230-05-8.
What is the molecular formula of BAS 01810004?
The molecular formula of BAS 01810004 is C27H27N5O5S.
What is the molecular weight of BAS 01810004?
The molecular weight of BAS 01810004 is 533.17 g/mol.
Where can I buy BAS 01810004?
You can request a quote for BAS 01810004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01810004?
Yes, KEHONG BIO provides custom synthesis services for BAS 01810004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.