C29H31N5O3S
TL;DR: C29H31N5O3S (CAS 612827-79-9) is a chemical compound with molecular formula C29H31N5O3S and molecular weight 529.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-pentoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(pentyloxy)benzylidene)acetohydrazide, 2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(pentyloxy)phenyl]methylidene}acetohydrazide
| Molecular Formula | C29H31N5O3S |
|---|---|
| Molecular Weight | 529.21 g/mol |
| LogP | 5.7543 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 529.2148 |
| Heavy Atoms | 38 |
| Complexity | 1322.848 |
Chemical Identifiers
| CAS Number | 612827-79-9 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CC=C4 |
Product Overview
C29H31N5O3S (CAS 612827-79-9), with molecular formula C29H31N5O3S and molecular weight 529.21 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-pentoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of C29H31N5O3S
Property Insights of C29H31N5O3S
The XLogP value of 5.7543 indicates that C29H31N5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H31N5O3S. Following Lipinski's Rule of Five, C29H31N5O3S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H31N5O3S?
The CAS number of C29H31N5O3S is 612827-79-9.
What is the molecular formula of C29H31N5O3S?
The molecular formula of C29H31N5O3S is C29H31N5O3S.
What is the molecular weight of C29H31N5O3S?
The molecular weight of C29H31N5O3S is 529.21 g/mol.
Where can I buy C29H31N5O3S?
You can request a quote for C29H31N5O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H31N5O3S?
Yes, KEHONG BIO provides custom synthesis services for C29H31N5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.