C28H29N5O5S
TL;DR: C28H29N5O5S (CAS 406464-67-3) is a chemical compound with molecular formula C28H29N5O5S and molecular weight 547.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-methoxybenzylidene)acetohydrazide, 2-{[4,5-BIS(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(4-ETHOXY-3-METHOXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE
| Molecular Formula | C28H29N5O5S |
|---|---|
| Molecular Weight | 547.19 g/mol |
| LogP | 4.6012 |
| Topological Polar Surface Area | 109.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 547.18896 |
| Heavy Atoms | 39 |
| Complexity | 1421.5419 |
Chemical Identifiers
| CAS Number | 406464-67-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)OC |
Product Overview
C28H29N5O5S (CAS 406464-67-3), with molecular formula C28H29N5O5S and molecular weight 547.19 g/mol. IUPAC: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of C28H29N5O5S
Property Insights of C28H29N5O5S
The XLogP value of 4.6012 indicates that C28H29N5O5S 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 C28H29N5O5S. Following Lipinski's Rule of Five, C28H29N5O5S 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 C28H29N5O5S?
The CAS number of C28H29N5O5S is 406464-67-3.
What is the molecular formula of C28H29N5O5S?
The molecular formula of C28H29N5O5S is C28H29N5O5S.
What is the molecular weight of C28H29N5O5S?
The molecular weight of C28H29N5O5S is 547.19 g/mol.
Where can I buy C28H29N5O5S?
You can request a quote for C28H29N5O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H29N5O5S?
Yes, KEHONG BIO provides custom synthesis services for C28H29N5O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.