RefChem:81050
TL;DR: RefChem:81050 (CAS 16797-62-9) is a chemical compound with molecular formula C25H31NO3 and molecular weight 393.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol
Also Known As: NCIOpen2_009376, 2,2-Dimethyl-3-(4-methoxyphenyl)-4-ethyl-6-(1-pyrrolidinylmethyl)-2H-1-benzopyran-7-ol, J2.793.195B, 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol, 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-7-ol
| Molecular Formula | C25H31NO3 |
|---|---|
| Molecular Weight | 393.23 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.2304 |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 16797-62-9 |
|---|---|
| SMILES | CCC1=C(C(OC2=C1C=C(C(=C2)O)CN3CCCC3)(C)C)C4=CC=C(C=C4)OC |
| InChIKey | KVMDJZAOBOVORV-UHFFFAOYSA-N |
Product Overview
RefChem:81050 (CAS 16797-62-9), with molecular formula C25H31NO3 and molecular weight 393.23 g/mol. IUPAC: 4-ethyl-3-(4-methoxyphenyl)-2,2-dimethyl-6-(pyrrolidin-1-ylmethyl)chromen-7-ol.
Chemical Property Profile of RefChem:81050
Property Insights of RefChem:81050
The XLogP value of 4.3 indicates that RefChem:81050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, RefChem:81050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:81050 has 1 hydrogen bond donor(s) and 4 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 RefChem:81050?
The CAS number of RefChem:81050 is 16797-62-9.
What is the molecular formula of RefChem:81050?
The molecular formula of RefChem:81050 is C25H31NO3.
What is the molecular weight of RefChem:81050?
The molecular weight of RefChem:81050 is 393.23 g/mol.
Where can I buy RefChem:81050?
You can request a quote for RefChem:81050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:81050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:81050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.