SID:134222949
TL;DR: SID:134222949 (CAS 211566-75-5) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Also Known As: SID:134222949, (3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-decahydroisoquinoline-3-carboxylic acid, (3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylic acid, 6-[(4-carboxyphenyl)methyl]decahydro-, (3S,4aR,6S,8aR)-, 6-(4-Carboxy-benzyl)-decahydro-isoquinoline-3-carboxylic acid
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 211566-75-5 |
|---|---|
| SMILES | C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CC3=CC=C(C=C3)C(=O)O)C(=O)O |
| InChIKey | YVMADKYPKNLVGU-BVUBDWEXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SID:134222949 (CAS 211566-75-5), with molecular formula C18H23NO4 and molecular weight 317.16 g/mol. IUPAC: (3S,4aR,6S,8aR)-6-[(4-carboxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid.
Chemical Property Profile of SID:134222949
Property Insights of SID:134222949
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SID:134222949. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for SID:134222949. Following Lipinski's Rule of Five, SID:134222949 has 3 hydrogen bond donor(s) and 5 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 SID:134222949?
The CAS number of SID:134222949 is 211566-75-5.
What is the molecular formula of SID:134222949?
The molecular formula of SID:134222949 is C18H23NO4.
What is the molecular weight of SID:134222949?
The molecular weight of SID:134222949 is 317.16 g/mol.
Where can I buy SID:134222949?
You can request a quote for SID:134222949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SID:134222949?
Yes, KEHONG BIO provides custom synthesis services for SID:134222949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.