Caustinerf
TL;DR: Caustinerf (CAS 100016-73-7) is a chemical compound with molecular formula C17H23ClO3 and molecular weight 310.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chlorophenol;formaldehyde;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Also Known As: Caustinerf, 4-chlorophenol,formaldehyde,4,7,7-trimethylbicyclo[2.2.1]heptan-3-one, 4-chlorophenol; formaldehyde; 4,7,7-trimethylbicyclo[2.2.1]heptan-3-one, 4-chlorophenol;formaldehyde;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, Formaldehyde, 2-amino-1,6,6a,7,8,9a-hexahydro-7-hydroxy-8-(hydroxymethyl)-, (6aS-(6aalpha,7alpha,8beta,9aalpha))-
| Molecular Formula | C17H23ClO3 |
|---|---|
| Molecular Weight | 310.13 g/mol |
| LogP | 4.2624 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.13358 |
| Heavy Atoms | 21 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 100016-73-7 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2)C)C.C=O.C1=CC(=CC=C1O)Cl |
| InChIKey | BPBFTWFEDDZSSY-UHFFFAOYSA-N |
Product Overview
Caustinerf (CAS 100016-73-7), with molecular formula C17H23ClO3 and molecular weight 310.13 g/mol. IUPAC: 4-chlorophenol;formaldehyde;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of Caustinerf
Property Insights of Caustinerf
The XLogP value of 4.2624 indicates that Caustinerf is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Caustinerf exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Caustinerf has 1 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 Caustinerf?
The CAS number of Caustinerf is 100016-73-7.
What is the molecular formula of Caustinerf?
The molecular formula of Caustinerf is C17H23ClO3.
What is the molecular weight of Caustinerf?
The molecular weight of Caustinerf is 310.13 g/mol.
Where can I buy Caustinerf?
You can request a quote for Caustinerf directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caustinerf?
Yes, KEHONG BIO provides custom synthesis services for Caustinerf and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.