5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate
TL;DR: 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate (CAS 78311-76-9) is a chemical compound with molecular formula C23H25N9O2S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(4-methylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Also Known As: 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate, Benzenesulfonamide, 4-(((4-(dimethylamino)phenyl)methylene)amino)-N-(4-methyl-2-pyrimidinyl)-N-(2-(1H-tetrazol-5-yl)ethyl)-, 4-(((4-(DIMETHYLAMINO)PHENYL)METHYLENE)AMINO)-N-(4-METHYL-PYRIMIDIN-2-YL)-N-(2-(1H-TETRAZOL-5-YL) ETHYL)BENZENESULFONAMIDE, 4-[(4-dimethylaminophenyl)methylideneamino]-N-(4-methylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide, 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(4-methylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
| Molecular Formula | C23H25N9O2S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 2.55272 |
| Topological Polar Surface Area | 133.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 491.18518 |
| Heavy Atoms | 35 |
| Complexity | 1385.9547 |
Chemical Identifiers
| CAS Number | 78311-76-9 |
|---|---|
| SMILES | CC1=NC(=NC=C1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(C)C |
Product Overview
5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate (CAS 78311-76-9), with molecular formula C23H25N9O2S and molecular weight 491.19 g/mol. IUPAC: 4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(4-methylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]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 2.55272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Octen-1-ol,7-methoxy-3,7-dimethyl-,acetate. The TPSA of 133.22 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 1 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 78311-76-9.
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 C23H25N9O2S.
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 491.19 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.