(3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid
TL;DR: (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid (CAS 115238-58-9) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Also Known As: (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid, J1.192.404B, 3-Isoquinolinecarboxylic acid, decahydro-, (3S,4aS,8aS)-, Decahydro-isoquinoline-3-carboxylic acid 1HCl salt, (3S,4aS,8aS)-Decahydro-3-isoquinolinecarboxylicacid
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 1.2393 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 205.10143 |
Chemical Identifiers
| CAS Number | 115238-58-9 |
|---|---|
| SMILES | C1CC[C@@H]2CN[C@@H](C[C@@H]2C1)C(=O)O |
Product Overview
(3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid (CAS 115238-58-9), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: (3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid.
Chemical Property Profile of (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid
Property Insights of (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid
The XLogP value of 1.2393 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 49.33 Ų, (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 2 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 (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid?
The CAS number of (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid is 115238-58-9.
What is the molecular formula of (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid?
The molecular formula of (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid is C10H17NO2.
What is the molecular weight of (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid?
The molecular weight of (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid is 183.13 g/mol.
Where can I buy (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid?
You can request a quote for (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S,4aS,8aS)-Decahydroisoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.