AE-641/30109037
TL;DR: AE-641/30109037 (CAS 123407-51-2) is a chemical compound with molecular formula C15H23NO3S and molecular weight 297.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol
Also Known As: AE-641/30109037, 2H-Thiopyran-4-ol, 3-[(dimethylamino)methyl]tetrahydro-4-(3-methoxyphenyl)-, 1-oxide, 3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)tetrahydro-2H-thiopyran-4-ol 1-oxide, 3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-1-oxothian-4-ol, 3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol
| Molecular Formula | C15H23NO3S |
|---|---|
| Molecular Weight | 297.14 g/mol |
| LogP | 1.213 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.13986 |
| Heavy Atoms | 20 |
| Complexity | 491.7619 |
Chemical Identifiers
| CAS Number | 123407-51-2 |
|---|---|
| SMILES | CN(C)CC1CS(=O)CCC1(C2=CC(=CC=C2)OC)O |
Product Overview
AE-641/30109037 (CAS 123407-51-2), with molecular formula C15H23NO3S and molecular weight 297.14 g/mol. IUPAC: 3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol.
Chemical Property Profile of AE-641/30109037
Property Insights of AE-641/30109037
The XLogP value of 1.213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-641/30109037. With a topological polar surface area (TPSA) of 49.77 Ų, AE-641/30109037 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/30109037 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 AE-641/30109037?
The CAS number of AE-641/30109037 is 123407-51-2.
What is the molecular formula of AE-641/30109037?
The molecular formula of AE-641/30109037 is C15H23NO3S.
What is the molecular weight of AE-641/30109037?
The molecular weight of AE-641/30109037 is 297.14 g/mol.
Where can I buy AE-641/30109037?
You can request a quote for AE-641/30109037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/30109037?
Yes, KEHONG BIO provides custom synthesis services for AE-641/30109037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.