(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile
TL;DR: (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile (CAS 138769-96-7) is a chemical compound with molecular formula C7H7NO2 and molecular weight 137.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile
Also Known As: (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile, (2R,3S)-2,3-dihydroxy-2,3-dihydrobenzonitrile, (+)-CIS-2(R),3(S)-2,3-DIHYDROXY-2,3-DIHYDROBENZONITRILE, (5S,6S)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile, (5S,6R)-5,6-Dihydroxy-1,3-cyclohexadiene-1-carbonitrile
| Molecular Formula | C7H7NO2 |
|---|---|
| Molecular Weight | 137.05 g/mol |
| LogP | -0.27202 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.04768 |
| Heavy Atoms | 10 |
| Complexity | 224.25082 |
Chemical Identifiers
| CAS Number | 138769-96-7 |
|---|---|
| SMILES | C1=C[C@@H]([C@@H](C(=C1)C#N)O)O |
Product Overview
(5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile (CAS 138769-96-7), with molecular formula C7H7NO2 and molecular weight 137.05 g/mol. IUPAC: (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile.
Chemical Property Profile of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile
Property Insights of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile
The XLogP value of -0.27202 indicates that (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile. Following Lipinski's Rule of Five, (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile has 2 hydrogen bond donor(s) and 3 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 (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile?
The CAS number of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile is 138769-96-7.
What is the molecular formula of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile?
The molecular formula of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile is C7H7NO2.
What is the molecular weight of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile?
The molecular weight of (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile is 137.05 g/mol.
Where can I buy (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile?
You can request a quote for (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.