枸橼酸西地那非
TL;DR: 枸橼酸西地那非 (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.
枸橼酸西地那非
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
枸橼酸西地那非 (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 枸橼酸西地那非
Property Insights of 枸橼酸西地那非
The XLogP value of -0.8 indicates that 枸橼酸西地那非 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting 枸橼酸西地那非 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 枸橼酸西地那非 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 枸橼酸西地那非?
The CAS number of 枸橼酸西地那非 is 171599-83-0.
What is the molecular formula of 枸橼酸西地那非?
The molecular formula of 枸橼酸西地那非 is C37H56O13.
What is the molecular weight of 枸橼酸西地那非?
The molecular weight of 枸橼酸西地那非 is 708.37 g/mol.
Where can I buy 枸橼酸西地那非?
You can request a quote for 枸橼酸西地那非 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 枸橼酸西地那非?
Yes, KEHONG BIO provides custom synthesis services for 枸橼酸西地那非 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.