5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate
TL;DR: 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate (CAS 78311-68-9) is a chemical compound with molecular formula C19H17N7O3S2 and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxyphenyl)methylideneamino]-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Also Known As: 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate, Benzenesulfonamide, 4-(((2-hydroxyphenyl)methylene)amino)-N-(2-(1H-tetrazol-5-yl)ethyl)-N-2-thiazolyl-, 4-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide, 4-(((2-HYDROXYPHENYL)METHYLENE)AMINO)-N-(2-(1H-TETRAZOL-5-YL)ETHYL)-N-THIAZOL-2-YLBENZENESULFONAMIDE, 4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
| Molecular Formula | C19H17N7O3S2 |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 2.5504 |
| Topological Polar Surface Area | 137.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08344 |
| Heavy Atoms | 31 |
| Complexity | 1256.3557 |
Chemical Identifiers
| CAS Number | 78311-68-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N(CCC3=NNN=N3)C4=NC=CS4)O |
Product Overview
5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate (CAS 78311-68-9), with molecular formula C19H17N7O3S2 and molecular weight 455.08 g/mol. IUPAC: 4-[(2-hydroxyphenyl)methylideneamino]-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
Chemical Property Profile of 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate
Property Insights of 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate
The XLogP value of 2.5504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate. The TPSA of 137.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate. Following Lipinski's Rule of Five, 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate has 2 hydrogen bond donor(s) and 9 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 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate?
The CAS number of 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate is 78311-68-9.
What is the molecular formula of 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate?
The molecular formula of 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate is C19H17N7O3S2.
What is the molecular weight of 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate?
The molecular weight of 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate is 455.08 g/mol.
Where can I buy 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate?
You can request a quote for 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.