(S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one
TL;DR: (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one (CAS 77822-21-0) is a chemical compound with molecular formula C18H18O5 and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
Also Known As: (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one, (2S)-2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
| Molecular Formula | C18H18O5 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.11542 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 77822-21-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)O[C@@H](CC2=O)C3=CC(=C(C=C3)OC)OC |
| InChIKey | KYRMOZFTJMQBFZ-KRWDZBQOSA-N |
Product Overview
(S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one (CAS 77822-21-0), with molecular formula C18H18O5 and molecular weight 314.12 g/mol. IUPAC: (2S)-2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one
Property Insights of (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one. With a topological polar surface area (TPSA) of 54.0 Ų, (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one has 0 hydrogen bond donor(s) and 5 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 (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one?
The CAS number of (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one is 77822-21-0.
What is the molecular formula of (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one?
The molecular formula of (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one is C18H18O5.
What is the molecular weight of (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one?
The molecular weight of (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one is 314.12 g/mol.
Where can I buy (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one?
You can request a quote for (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3,4-dimethoxyphenyl)-6-methoxychroman-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.