异硫氰酸对十二烷氧基苯酯
TL;DR: 异硫氰酸对十二烷氧基苯酯 (CAS 64047-45-6) is a chemical compound with molecular formula C19H29NOS and molecular weight 319.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异硫氰酸对十二烷氧基苯酯
1-dodecoxy-4-isothiocyanatobenzene
Also Known As: p-Dodecyloxyphenylisothiocyanate, 1-dodecoxy-4-isothiocyanatobenzene, 4-Dodecyloxyphenyl isothiocyanate, 4-Dodecyloxyphenylisothiocyanate, ISOTHIOCYANIC ACID, p-DODECYLOXYPHENYL ESTER
| Molecular Formula | C19H29NOS |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 53.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 319.197 |
| Heavy Atoms | 22 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 64047-45-6 |
|---|---|
| SMILES | CCCCCCCCCCCCOC1=CC=C(C=C1)N=C=S |
| InChIKey | BZGDMMAQJCFOTC-UHFFFAOYSA-N |
Product Overview
异硫氰酸对十二烷氧基苯酯 (CAS 64047-45-6), with molecular formula C19H29NOS and molecular weight 319.20 g/mol. IUPAC: 1-dodecoxy-4-isothiocyanatobenzene.
Chemical Property Profile of 异硫氰酸对十二烷氧基苯酯
Property Insights of 异硫氰酸对十二烷氧基苯酯
The XLogP value of 9.0 indicates that 异硫氰酸对十二烷氧基苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.7 Ų, 异硫氰酸对十二烷氧基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异硫氰酸对十二烷氧基苯酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 异硫氰酸对十二烷氧基苯酯?
The CAS number of 异硫氰酸对十二烷氧基苯酯 is 64047-45-6.
What is the molecular formula of 异硫氰酸对十二烷氧基苯酯?
The molecular formula of 异硫氰酸对十二烷氧基苯酯 is C19H29NOS.
What is the molecular weight of 异硫氰酸对十二烷氧基苯酯?
The molecular weight of 异硫氰酸对十二烷氧基苯酯 is 319.20 g/mol.
Where can I buy 异硫氰酸对十二烷氧基苯酯?
You can request a quote for 异硫氰酸对十二烷氧基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异硫氰酸对十二烷氧基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 异硫氰酸对十二烷氧基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.