Dabigatran etexilate
TL;DR: Dabigatran etexilate (CAS 1610666-09-5) is a chemical compound with molecular formula C34H41N7O5 and molecular weight 627.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Also Known As: Dabigatran etexilate, Pradaxa, Dabigatran, Prazaxa, Pradax
| Molecular Formula | C34H41N7O5 |
|---|---|
| Molecular Weight | 627.32 g/mol |
| LogP | 5.6026 |
| Topological Polar Surface Area | 154.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 627.3169 |
| Heavy Atoms | 46 |
| Complexity | 1651.9321 |
Chemical Identifiers
| CAS Number | 1610666-09-5 |
|---|---|
| SMILES | CCCCCCOC(=O)/N=C(/C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)\N |
Product Overview
Dabigatran etexilate (CAS 1610666-09-5), with molecular formula C34H41N7O5 and molecular weight 627.32 g/mol. IUPAC: ethyl 3-[[2-[[4-[(Z)-N'-hexoxycarbonylcarbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate.
Chemical Property Profile of Dabigatran etexilate
Property Insights of Dabigatran etexilate
The XLogP value of 5.6026 indicates that Dabigatran etexilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.03 Ų indicates high polarity, suggesting Dabigatran etexilate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dabigatran etexilate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dabigatran etexilate?
The CAS number of Dabigatran etexilate is 1610666-09-5.
What is the molecular formula of Dabigatran etexilate?
The molecular formula of Dabigatran etexilate is C34H41N7O5.
What is the molecular weight of Dabigatran etexilate?
The molecular weight of Dabigatran etexilate is 627.32 g/mol.
Where can I buy Dabigatran etexilate?
You can request a quote for Dabigatran etexilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dabigatran etexilate?
Yes, KEHONG BIO provides custom synthesis services for Dabigatran etexilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.