Mr 2097-CL
TL;DR: Mr 2097-CL (CAS 62767-48-0) is a chemical compound with molecular formula C21H26ClNO5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-[[(2S)-oxolan-2-yl]methyl]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Also Known As: Mr 2097-CL, (-)-N-((S)-Tetrahydrofurfuryl)noroxymorphone hydrochloride, Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-((tetrahydro-2-furanyl)methyl)-, hydrochloride, (5-alpha,17(S))-, 3,14-Dihydroxy-17-{[(2S)-oxolan-2-yl]methyl}-5alpha-4,5-epoxymorphinan-6-one--hydrogen chloride (1/1), RefChem:357951
| Molecular Formula | C21H26ClNO5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 1.7162 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.14996 |
| Heavy Atoms | 28 |
| Complexity | 840.33 |
Chemical Identifiers
| CAS Number | 62767-48-0 |
|---|---|
| SMILES | C1C[C@H](OC1)CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O.Cl |
Product Overview
Mr 2097-CL (CAS 62767-48-0), with molecular formula C21H26ClNO5 and molecular weight 407.15 g/mol. IUPAC: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-[[(2S)-oxolan-2-yl]methyl]-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride.
Chemical Property Profile of Mr 2097-CL
Property Insights of Mr 2097-CL
The XLogP value of 1.7162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mr 2097-CL. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Mr 2097-CL. Following Lipinski's Rule of Five, Mr 2097-CL has 2 hydrogen bond donor(s) and 6 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 2097-CL?
The CAS number of Mr 2097-CL is 62767-48-0.
What is the molecular formula of Mr 2097-CL?
The molecular formula of Mr 2097-CL is C21H26ClNO5.
What is the molecular weight of Mr 2097-CL?
The molecular weight of Mr 2097-CL is 407.15 g/mol.
Where can I buy Mr 2097-CL?
You can request a quote for Mr 2097-CL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mr 2097-CL?
Yes, KEHONG BIO provides custom synthesis services for Mr 2097-CL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.