Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-
TL;DR: Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- (CAS 71634-92-9) is a chemical compound with molecular formula C18H17NO6 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]propanenitrile
Also Known As: Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-, 3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxypropanenitrile, 3-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]propanenitrile
| Molecular Formula | C18H17NO6 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.1056 |
| Heavy Atoms | 25 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 71634-92-9 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OCCC#N |
| InChIKey | XEICAICTRTZMMO-ZWKOTPCHSA-N |
Product Overview
Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- (CAS 71634-92-9), with molecular formula C18H17NO6 and molecular weight 343.11 g/mol. IUPAC: 3-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]propanenitrile.
Chemical Property Profile of Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-
Property Insights of Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-. Following Lipinski's Rule of Five, Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- has 4 hydrogen bond donor(s) and 7 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 Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-?
The CAS number of Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- is 71634-92-9.
What is the molecular formula of Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-?
The molecular formula of Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- is C18H17NO6.
What is the molecular weight of Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-?
The molecular weight of Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- is 343.11 g/mol.
Where can I buy Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-?
You can request a quote for Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-((2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl)oxy)-, (2R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.