3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-
TL;DR: 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- (CAS 317844-33-0) is a chemical compound with molecular formula C16H24F2N2O4 and molecular weight 346.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6S,8aR)-6-[[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Also Known As: 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-, (3S,4aR,6S,8aR)-6-[[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid, (3s,4ar,6s,8ar)-6-{[(2s)-2-Carboxy-4,4-Difluoropyrrolidin-1-Yl]methyl}decahydroisoquinoline-3-Carboxylic Acid, 6-((2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-3-isoquinolinecarboxylic acid, 6-((2-carboxy-4,4-difluoropyrrolidin-1-yl)methyl)-decahydroisoquinoline-3-carboxylic acid
| Molecular Formula | C16H24F2N2O4 |
|---|---|
| Molecular Weight | 346.17 g/mol |
| LogP | 1.2596 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1704 |
| Heavy Atoms | 24 |
| Complexity | 516.3059 |
Chemical Identifiers
| CAS Number | 317844-33-0 |
|---|---|
| SMILES | C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O |
Product Overview
3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- (CAS 317844-33-0), with molecular formula C16H24F2N2O4 and molecular weight 346.17 g/mol. IUPAC: (3S,4aR,6S,8aR)-6-[[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid.
Chemical Property Profile of 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-
Property Insights of 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-
The XLogP value of 1.2596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-. Following Lipinski's Rule of Five, 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- has 3 hydrogen bond donor(s) and 4 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 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-?
The CAS number of 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- is 317844-33-0.
What is the molecular formula of 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-?
The molecular formula of 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- is C16H24F2N2O4.
What is the molecular weight of 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-?
The molecular weight of 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- is 346.17 g/mol.
Where can I buy 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-?
You can request a quote for 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.