2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
TL;DR: 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (CAS 104500-26-7) is a chemical compound with molecular formula C21H25NO5S and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;2-methyl-2-(4-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenylmethylamino)propane-1,3-diol
Also Known As: 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate, 1,3-Propanediol, 2-((4H-cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-, methanesulfonate (salt), Methanesulfonic acid--2-{[(4H-cyclopenta[def]phenanthren-1-yl)methyl]amino}-2-methylpropane-1,3-diol (1/1), RefChem:219577
| Molecular Formula | C21H25NO5S |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 2.2341 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.14536 |
| Heavy Atoms | 28 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 104500-26-7 |
|---|---|
| SMILES | CC(CO)(CO)NCC1=C2C=CC3=C4C2=C(CC4=CC=C3)C=C1.CS(=O)(=O)O |
| InChIKey | KCYUQEVWRSFZDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (CAS 104500-26-7), with molecular formula C21H25NO5S and molecular weight 403.15 g/mol. IUPAC: methanesulfonic acid;2-methyl-2-(4-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenylmethylamino)propane-1,3-diol.
Chemical Property Profile of 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
Property Insights of 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate
The XLogP value of 2.2341 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate. Following Lipinski's Rule of Five, 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate has 4 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 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
The CAS number of 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate is 104500-26-7.
What is the molecular formula of 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
The molecular formula of 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate is C21H25NO5S.
What is the molecular weight of 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
The molecular weight of 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate is 403.15 g/mol.
Where can I buy 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
You can request a quote for 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4H-Cyclopenta(def)phenanthren-1-ylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.