西地那非柠檬酸盐
TL;DR: 西地那非柠檬酸盐 (CAS 171599-83-0) is a chemical compound with molecular formula C37H56O13 and molecular weight 708.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
西地那非柠檬酸盐
3-[5-[[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-4-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Sildenafil citrate, 1-[[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl]-4-methylpiperazine, 2-hydroxy-1,2,3-propanetricarboxylate, 3-[5-[[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-4-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C37H56O13 |
|---|---|
| Molecular Weight | 708.37 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 708.3721 |
| Heavy Atoms | 50 |
| Complexity | 1310.0 |
Chemical Identifiers
| CAS Number | 171599-83-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)COCC7C(C(CC(O7)CO)O)O |
| InChIKey | OFURJKQYILYJGS-UHFFFAOYSA-N |
Product Overview
西地那非柠檬酸盐 (CAS 171599-83-0), with molecular formula C37H56O13 and molecular weight 708.37 g/mol. IUPAC: 3-[5-[[3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-4-hydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of 西地那非柠檬酸盐
Property Insights of 西地那非柠檬酸盐
The XLogP value of -0.8 indicates that 西地那非柠檬酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 西地那非柠檬酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sildenafil citrate has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sildenafil citrate?
The CAS number of Sildenafil citrate is 171599-83-0.
What is the molecular formula of Sildenafil citrate?
The molecular formula of Sildenafil citrate is C37H56O13.
What is the molecular weight of Sildenafil citrate?
The molecular weight of Sildenafil citrate is 708.37 g/mol.
Where can I buy Sildenafil citrate?
You can request a quote for Sildenafil citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sildenafil citrate?
Yes, KEHONG BIO provides custom synthesis services for Sildenafil citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.