Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-
TL;DR: Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- (CAS 5401-32-1) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-ethynyl-4-(4-methoxyphenyl)cyclohexyl]carbamic acid
Also Known As: [1-ethynyl-4-(4-methoxyphenyl)cyclohexyl]carbamic acid|trans-(4-p-Metossifenil-1-etinilcicloesilcarbammato)|Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-|trans-1-Ethynyl-4-(4-methoxyphenyl)cyclohexanol carbamate|trans-(4-p-Metossifenil-1-etinilcicloesilcarbammato) [Italian]|BRN 2469251|RefChem:335467|DTXCID80116835
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 5401-32-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CCC(CC2)(C#C)NC(=O)O |
| InChIKey | NGONGYIQCOACRV-UHFFFAOYSA-N |
Product Overview
Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- (CAS 5401-32-1), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: [1-ethynyl-4-(4-methoxyphenyl)cyclohexyl]carbamic acid.
Chemical Property Profile of Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-
Property Insights of Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-. With a topological polar surface area (TPSA) of 58.6 Ų, Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- has 2 hydrogen bond donor(s) and 3 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 Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-?
The CAS number of Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- is 5401-32-1.
What is the molecular formula of Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-?
The molecular formula of Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- is C16H19NO3.
What is the molecular weight of Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-?
The molecular weight of Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- is 273.14 g/mol.
Where can I buy Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-?
You can request a quote for Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 1-ethynyl-4-(4-methoxyphenyl)-, carbamate, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.