新橙皮苷二氢查耳酮
TL;DR: 新橙皮苷二氢查耳酮 (CAS 20702-77-6) is a chemical compound with molecular formula C28H36O15 and molecular weight 612.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新橙皮苷二氢查耳酮
1-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
Also Known As: Neohesperidin dc, Nhdc, Neohesperidin dhc, neohesperidin dihydrochalcone, Neosperidin dihydrochalcone
| Molecular Formula | C28H36O15 |
|---|---|
| Molecular Weight | 612.21 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 612.20544 |
| Heavy Atoms | 43 |
| Complexity | 882.0 |
| Melting Point | 156.00 to 158.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 20702-77-6 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O |
| InChIKey | ITVGXXMINPYUHD-UHFFFAOYSA-N |
Product Overview
新橙皮苷二氢查耳酮 (CAS 20702-77-6), with molecular formula C28H36O15 and molecular weight 612.21 g/mol. IUPAC: 1-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one.
Chemical Property Profile of 新橙皮苷二氢查耳酮
Property Insights of 新橙皮苷二氢查耳酮
The XLogP value of -0.3 indicates that 新橙皮苷二氢查耳酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.0 Ų indicates high polarity, suggesting 新橙皮苷二氢查耳酮 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 新橙皮苷二氢查耳酮 has 9 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 新橙皮苷二氢查耳酮?
The CAS number of 新橙皮苷二氢查耳酮 is 20702-77-6.
What is the molecular formula of 新橙皮苷二氢查耳酮?
The molecular formula of 新橙皮苷二氢查耳酮 is C28H36O15.
What is the molecular weight of 新橙皮苷二氢查耳酮?
The molecular weight of 新橙皮苷二氢查耳酮 is 612.21 g/mol.
Where can I buy 新橙皮苷二氢查耳酮?
You can request a quote for 新橙皮苷二氢查耳酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新橙皮苷二氢查耳酮?
Yes, KEHONG BIO provides custom synthesis services for 新橙皮苷二氢查耳酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.