Nirurin
TL;DR: Nirurin (CAS 96253-68-8) is a chemical compound with molecular formula C32H40O15 and molecular weight 664.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Nirurin, 6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one, 5,6,7,4'-Tetrahydroxy-8-(3-methylbut-2-enyl)flavanone-5-O-rutinoside, 6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2h-chromen-5-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside, 4H-1-Benzopyran-4-one, 5-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-, (S)-
| Molecular Formula | C32H40O15 |
|---|---|
| Molecular Weight | 664.24 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 664.2367 |
| Heavy Atoms | 47 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 96253-68-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C(C4=C3C(=O)CC(O4)C5=CC=C(C=C5)O)CC=C(C)C)O)O)O)O)O)O)O)O |
| InChIKey | POYMCXRWXZAMNO-UHFFFAOYSA-N |
Product Overview
Nirurin (CAS 96253-68-8), with molecular formula C32H40O15 and molecular weight 664.24 g/mol. IUPAC: 6,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Nirurin
Property Insights of Nirurin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nirurin. The TPSA of 245.0 Ų indicates high polarity, suggesting Nirurin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nirurin 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 Nirurin?
The CAS number of Nirurin is 96253-68-8.
What is the molecular formula of Nirurin?
The molecular formula of Nirurin is C32H40O15.
What is the molecular weight of Nirurin?
The molecular weight of Nirurin is 664.24 g/mol.
Where can I buy Nirurin?
You can request a quote for Nirurin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nirurin?
Yes, KEHONG BIO provides custom synthesis services for Nirurin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.