TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE
TL;DR: TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE (CAS 1252572-01-2) is a chemical compound with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Also Known As: TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE, 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, 5-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole, 3-(3,4-dimethoxyphenyl)-5-[[[4-(3-methylphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole
| Molecular Formula | C27H25N5O3S |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 5.52602 |
| Topological Polar Surface Area | 88.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.16782 |
| Heavy Atoms | 36 |
| Complexity | 1465.5703 |
Chemical Identifiers
| CAS Number | 1252572-01-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC(=C(C=C4)OC)OC)CC5=CC=CC=C5 |
Product Overview
TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE (CAS 1252572-01-2), with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol. IUPAC: 5-[[5-benzyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole.
Chemical Property Profile of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE
Property Insights of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE
The XLogP value of 5.52602 indicates that TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.09 Ų falls within the moderate polarity range, balancing permeability and solubility for TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE. Following Lipinski's Rule of Five, TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE?
The CAS number of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE is 1252572-01-2.
What is the molecular formula of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE?
The molecular formula of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE is C27H25N5O3S.
What is the molecular weight of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE?
The molecular weight of TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE is 499.17 g/mol.
Where can I buy TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE?
You can request a quote for TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for TERT-BUTYL 4-FORMYL-1H-INDAZOLE-1-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.