C18H16NO4-
TL;DR: C18H16NO4- (CAS 146684-74-4) is a chemical compound with molecular formula C18H16NO4- and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
Also Known As: C18H16NO4-, 2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (3R)-, (3R)-2-benzyloxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate, (3R)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate
| Molecular Formula | C18H16NO4- |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.10794 |
| Heavy Atoms | 23 |
| Complexity | 713.9713 |
Chemical Identifiers
| CAS Number | 146684-74-4 |
|---|---|
| SMILES | C1[C@@H](N(CC2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)C(=O)[O-] |
Product Overview
C18H16NO4- (CAS 146684-74-4), with molecular formula C18H16NO4- and molecular weight 310.11 g/mol. IUPAC: (3R)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate.
Chemical Property Profile of C18H16NO4-
Property Insights of C18H16NO4-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H16NO4-. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H16NO4-. Following Lipinski's Rule of Five, C18H16NO4- has 0 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 C18H16NO4-?
The CAS number of C18H16NO4- is 146684-74-4.
What is the molecular formula of C18H16NO4-?
The molecular formula of C18H16NO4- is C18H16NO4-.
What is the molecular weight of C18H16NO4-?
The molecular weight of C18H16NO4- is 310.11 g/mol.
Where can I buy C18H16NO4-?
You can request a quote for C18H16NO4- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16NO4-?
Yes, KEHONG BIO provides custom synthesis services for C18H16NO4- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.