YS 3621
TL;DR: YS 3621 (CAS 851-01-4) is a chemical compound with molecular formula C19H26ClNO3 and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethoxyphenyl)-3-(methylamino)-1-phenylbutan-1-ol;hydrochloride
Also Known As: YS 3621, KST-1B9186, 1-(2,5-Dimethoxyphenyl)-3-methylamino-1-phenylbutanol hydrochloride, Benzhydrol, 2,5-dimethoxy-alpha-(2-methylaminopropyl)-, hydrochloride, 1-(2,5-dimethoxyphenyl)-3-(methylamino)-1-phenylbutan-1-ol hydrochloride(1:1)
| Molecular Formula | C19H26ClNO3 |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 3.36 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.16013 |
| Heavy Atoms | 24 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 851-01-4 |
|---|---|
| SMILES | CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)NC.Cl |
| InChIKey | VJZSXMGEJJJBON-UHFFFAOYSA-N |
Product Overview
YS 3621 (CAS 851-01-4), with molecular formula C19H26ClNO3 and molecular weight 351.16 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)-3-(methylamino)-1-phenylbutan-1-ol;hydrochloride.
Chemical Property Profile of YS 3621
Property Insights of YS 3621
The XLogP value of 3.36 indicates that YS 3621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, YS 3621 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, YS 3621 has 3 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 YS 3621?
The CAS number of YS 3621 is 851-01-4.
What is the molecular formula of YS 3621?
The molecular formula of YS 3621 is C19H26ClNO3.
What is the molecular weight of YS 3621?
The molecular weight of YS 3621 is 351.16 g/mol.
Where can I buy YS 3621?
You can request a quote for YS 3621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for YS 3621?
Yes, KEHONG BIO provides custom synthesis services for YS 3621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.