MR 1452 MS
TL;DR: MR 1452 MS (CAS 61849-16-9) is a chemical compound with molecular formula C20H27NO5S and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,13R)-10-(furan-3-ylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;methanesulfonic acid
Also Known As: MR 1452 MS, NIH 8859, UM 979, (-)-2-(3-Furylmethyl)-2'-hydroxy-5,9-alpha-dimethyl-6,7-benzomorphan-methansulfonat [German], 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-furanylmethyl)-, (2R-(2-alpha,6-alpha,11R*))-, methanesulfonate (salt)
| Molecular Formula | C20H27NO5S |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 3.2136 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.16098 |
| Heavy Atoms | 27 |
| Complexity | 885.1008 |
Chemical Identifiers
| CAS Number | 61849-16-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2CC3=C([C@@]1(CCN2CC4=COC=C4)C)C=C(C=C3)O.CS(=O)(=O)O |
Product Overview
MR 1452 MS (CAS 61849-16-9), with molecular formula C20H27NO5S and molecular weight 393.16 g/mol. IUPAC: (1R,9R,13R)-10-(furan-3-ylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;methanesulfonic acid.
Chemical Property Profile of MR 1452 MS
Property Insights of MR 1452 MS
The XLogP value of 3.2136 indicates that MR 1452 MS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.98 Ų falls within the moderate polarity range, balancing permeability and solubility for MR 1452 MS. Following Lipinski's Rule of Five, MR 1452 MS has 2 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 MR 1452 MS?
The CAS number of MR 1452 MS is 61849-16-9.
What is the molecular formula of MR 1452 MS?
The molecular formula of MR 1452 MS is C20H27NO5S.
What is the molecular weight of MR 1452 MS?
The molecular weight of MR 1452 MS is 393.16 g/mol.
Where can I buy MR 1452 MS?
You can request a quote for MR 1452 MS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MR 1452 MS?
Yes, KEHONG BIO provides custom synthesis services for MR 1452 MS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.