1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷
TL;DR: 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 (CAS 17238-45-8) is a chemical compound with molecular formula C18H19NO8 and molecular weight 377.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(N-methyl-C-naphthalen-1-yloxycarbonimidoyl)oxyoxane-2-carboxylic acid
Also Known As: 1-Naphthyl methylimidocarbonate O-glucuronide, Glucuronic acid, 1-naphthyl methylimidocarbonate, beta-D-Glucopyranosiduronic acid, 1-(1-naphthalenylmethylcarbonimidate), (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(N-methyl-C-naphthalen-1-yloxycarbonimidoyl)oxyoxane-2-carboxylic acid
| Molecular Formula | C18H19NO8 |
|---|---|
| Molecular Weight | 377.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.11105 |
| Heavy Atoms | 27 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 17238-45-8 |
|---|---|
| SMILES | CN=C(O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2=CC=CC3=CC=CC=C32 |
| InChIKey | HIUUPUQFMUJGQN-JBXGNFEISA-N |
Product Overview
1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 (CAS 17238-45-8), with molecular formula C18H19NO8 and molecular weight 377.11 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(N-methyl-C-naphthalen-1-yloxycarbonimidoyl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷
Property Insights of 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷. Following Lipinski's Rule of Five, 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 has 4 hydrogen bond donor(s) and 9 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 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷?
The CAS number of 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 is 17238-45-8.
What is the molecular formula of 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷?
The molecular formula of 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 is C18H19NO8.
What is the molecular weight of 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷?
The molecular weight of 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 is 377.11 g/mol.
Where can I buy 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷?
You can request a quote for 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷?
Yes, KEHONG BIO provides custom synthesis services for 1-萘基甲基亚氨碳酸酯O-葡萄糖醛酸苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.