C21H25NO2.CH4O3S
TL;DR: C21H25NO2.CH4O3S (CAS 61799-82-4) is a chemical compound with molecular formula C22H29NO5S and molecular weight 419.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9S)-17-(furan-3-ylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;methanesulfonic acid
Also Known As: Mr 1257 MS, 17-(3-Furanylmethyl)morphinan-3-ol methanesulfonate, (1S,9S)-17-(Furan-3-ylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;methanesulfonic acid, (-)-N-(3-Furylmethyl)-3-hydroxy-morphinan-methansulfonat, (-)-N-(3-furylmethyl)-3-hydroxymorphinan methanesulfonate
| Molecular Formula | C22H29NO5S |
|---|---|
| Molecular Weight | 419.18 g/mol |
| LogP | 3.7478 |
| Topological Polar Surface Area | 90.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.17664 |
| Heavy Atoms | 29 |
| Complexity | 947.58716 |
Chemical Identifiers
| CAS Number | 61799-82-4 |
|---|---|
| SMILES | CS(=O)(=O)O.C1CC[C@]23CCN([C@H](C2C1)CC4=C3C=C(C=C4)O)CC5=COC=C5 |
Product Overview
C21H25NO2.CH4O3S (CAS 61799-82-4), with molecular formula C22H29NO5S and molecular weight 419.18 g/mol. IUPAC: (1S,9S)-17-(furan-3-ylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol;methanesulfonic acid.
Chemical Property Profile of C21H25NO2.CH4O3S
Property Insights of C21H25NO2.CH4O3S
The XLogP value of 3.7478 indicates that C21H25NO2.CH4O3S 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 C21H25NO2.CH4O3S. Following Lipinski's Rule of Five, C21H25NO2.CH4O3S 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 C21H25NO2.CH4O3S?
The CAS number of C21H25NO2.CH4O3S is 61799-82-4.
What is the molecular formula of C21H25NO2.CH4O3S?
The molecular formula of C21H25NO2.CH4O3S is C22H29NO5S.
What is the molecular weight of C21H25NO2.CH4O3S?
The molecular weight of C21H25NO2.CH4O3S is 419.18 g/mol.
Where can I buy C21H25NO2.CH4O3S?
You can request a quote for C21H25NO2.CH4O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H25NO2.CH4O3S?
Yes, KEHONG BIO provides custom synthesis services for C21H25NO2.CH4O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.