d-De-o-methylcentrolobine
TL;DR: d-De-o-methylcentrolobine (CAS 903639-13-4) is a chemical compound with molecular formula C19H22O3 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[5-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
Also Known As: d-De-o-methylcentrolobine, EX-A14057, 4-[2-[5-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol
| Molecular Formula | C19H22O3 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.1569 |
| Heavy Atoms | 22 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 903639-13-4 |
|---|---|
| SMILES | C1CC(OCC1C2=CC=C(C=C2)O)CCC3=CC=C(C=C3)O |
| InChIKey | CZAHCAZTHZRDDI-UHFFFAOYSA-N |
Product Overview
d-De-o-methylcentrolobine (CAS 903639-13-4), with molecular formula C19H22O3 and molecular weight 298.16 g/mol. IUPAC: 4-[2-[5-(4-hydroxyphenyl)oxan-2-yl]ethyl]phenol.
Chemical Property Profile of d-De-o-methylcentrolobine
Property Insights of d-De-o-methylcentrolobine
The XLogP value of 4.0 indicates that d-De-o-methylcentrolobine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, d-De-o-methylcentrolobine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, d-De-o-methylcentrolobine 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 d-De-o-methylcentrolobine?
The CAS number of d-De-o-methylcentrolobine is 903639-13-4.
What is the molecular formula of d-De-o-methylcentrolobine?
The molecular formula of d-De-o-methylcentrolobine is C19H22O3.
What is the molecular weight of d-De-o-methylcentrolobine?
The molecular weight of d-De-o-methylcentrolobine is 298.16 g/mol.
Where can I buy d-De-o-methylcentrolobine?
You can request a quote for d-De-o-methylcentrolobine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for d-De-o-methylcentrolobine?
Yes, KEHONG BIO provides custom synthesis services for d-De-o-methylcentrolobine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.