C18H21NO5
TL;DR: C18H21NO5 (CAS 959583-98-3) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
Also Known As: (2S,3S)-3-((tert-Butoxycarbonyl)amino)-2-hydroxy-3-(naphthalen-2-yl)propanoic acid, 6700AC, N-Boc-(2S,3S)-3-Amino-2-hydroxy-3-naphthalen-2-yl-propionic acid, N-Boc-3-(S)-Amino-2-(S)-hydroxy-3-naphthalen-2-yl-propionic acid, (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.8511 |
| Topological Polar Surface Area | 95.86 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 750.4027 |
Chemical Identifiers
| CAS Number | 959583-98-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](C1=CC2=CC=CC=C2C=C1)[C@@H](C(=O)O)O |
Product Overview
C18H21NO5 (CAS 959583-98-3), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoic acid.
Chemical Property Profile of C18H21NO5
Property Insights of C18H21NO5
The XLogP value of 2.8511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H21NO5. The TPSA of 95.86 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H21NO5. Following Lipinski's Rule of Five, C18H21NO5 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 C18H21NO5?
The CAS number of C18H21NO5 is 959583-98-3.
What is the molecular formula of C18H21NO5?
The molecular formula of C18H21NO5 is C18H21NO5.
What is the molecular weight of C18H21NO5?
The molecular weight of C18H21NO5 is 331.14 g/mol.
Where can I buy C18H21NO5?
You can request a quote for C18H21NO5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H21NO5?
Yes, KEHONG BIO provides custom synthesis services for C18H21NO5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.