Napsagatran
TL;DR: Napsagatran (CAS 159668-20-9) is a chemical compound with molecular formula C26H36N6O7S and molecular weight 576.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S)-4-amino-2-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl-naphthalen-2-ylsulfonylamino]-4-oxobutanoyl]-cyclopropylamino]acetic acid;hydrate
Also Known As: Napsagatran, Ro 46-6240, Ro 46-6240/010, 2-[[(2S)-4-amino-2-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl-naphthalen-2-ylsulfonylamino]-4-oxobutanoyl]-cyclopropylamino]acetic acid hydrate, N-[(1-Carbamimidoylpiperidin-3-yl)methyl]-4-imino-N-(naphthalene-2-sulfonyl)homoseryl-N-cyclopropylglycine--water (1/1)
| Molecular Formula | C26H36N6O7S |
|---|---|
| Molecular Weight | 576.24 g/mol |
| LogP | -0.06913 |
| Topological Polar Surface Area | 222.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 576.23663 |
| Heavy Atoms | 40 |
| Complexity | 1380.6097 |
Chemical Identifiers
| CAS Number | 159668-20-9 |
|---|---|
| SMILES | C1C[C@@H](CN(C1)C(=N)N)CN([C@@H](CC(=O)N)C(=O)N(CC(=O)O)C2CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.O |
Product Overview
Napsagatran (CAS 159668-20-9), with molecular formula C26H36N6O7S and molecular weight 576.24 g/mol. IUPAC: 2-[[(2S)-4-amino-2-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl-naphthalen-2-ylsulfonylamino]-4-oxobutanoyl]-cyclopropylamino]acetic acid;hydrate.
Chemical Property Profile of Napsagatran
Property Insights of Napsagatran
The XLogP value of -0.06913 indicates that Napsagatran is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.69 Ų indicates high polarity, suggesting Napsagatran may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Napsagatran has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Napsagatran?
The CAS number of Napsagatran is 159668-20-9.
What is the molecular formula of Napsagatran?
The molecular formula of Napsagatran is C26H36N6O7S.
What is the molecular weight of Napsagatran?
The molecular weight of Napsagatran is 576.24 g/mol.
Where can I buy Napsagatran?
You can request a quote for Napsagatran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Napsagatran?
Yes, KEHONG BIO provides custom synthesis services for Napsagatran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.