(2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene
TL;DR: (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene (CAS 205504-03-6) is a chemical compound with molecular formula C8H9IO4 and molecular weight 295.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6R)-5,6-dihydroxy-3-iodo-4-methylcyclohexa-1,3-diene-1-carboxylic acid
Also Known As: (2R,3S)-1-CARBOXY-5-IODO-4-METHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, (5S,6R)-5,6-dihydroxy-3-iodo-4-methylcyclohexa-1,3-diene-1-carboxylic acid, -1-CARBOXY-5-IODO-4-METHYL-2,3-DIHYDROXYCYCLOHEXA-4,6-DIENE, (5R,6S)-5,6-dihydroxy-3-iodo-4-methyl-cyclohexa-1,3-diene-1-carboxylic Acid, 1,3-Cyclohexadiene-1-carboxylicacid, 5,6-dihydroxy-3-iodo-4-methyl-, (5S,6R)-
| Molecular Formula | C8H9IO4 |
|---|---|
| Molecular Weight | 295.95 g/mol |
| LogP | 0.4418 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.95456 |
| Heavy Atoms | 13 |
| Complexity | 305.2659 |
Chemical Identifiers
| CAS Number | 205504-03-6 |
|---|---|
| SMILES | CC1=C(C=C([C@H]([C@H]1O)O)C(=O)O)I |
Product Overview
(2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene (CAS 205504-03-6), with molecular formula C8H9IO4 and molecular weight 295.95 g/mol. IUPAC: (5S,6R)-5,6-dihydroxy-3-iodo-4-methylcyclohexa-1,3-diene-1-carboxylic acid.
Chemical Property Profile of (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene
Property Insights of (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene
The XLogP value of 0.4418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene. Following Lipinski's Rule of Five, (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene has 3 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 (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene?
The CAS number of (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene is 205504-03-6.
What is the molecular formula of (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene?
The molecular formula of (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene is C8H9IO4.
What is the molecular weight of (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene?
The molecular weight of (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene is 295.95 g/mol.
Where can I buy (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene?
You can request a quote for (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S)-1-Carboxy-5-iodo-4-methyl-2,3-dihydroxycyclohexa-4,6-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.