希美加群
TL;DR: 希美加群 (CAS 1243838-77-8) is a chemical compound with molecular formula C24H35N5O5 and molecular weight 473.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
希美加群
ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate
Also Known As: Ximelagatran, Exanta, xi-melagatran, Exarta, ximelagatranum
| Molecular Formula | C24H35N5O5 |
|---|---|
| Molecular Weight | 473.26 g/mol |
| LogP | 1.0998 |
| Topological Polar Surface Area | 146.35 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.26382 |
| Heavy Atoms | 34 |
| Complexity | 882.2448 |
Chemical Identifiers
| CAS Number | 1243838-77-8 |
|---|---|
| SMILES | CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N |
Product Overview
希美加群 (CAS 1243838-77-8), with molecular formula C24H35N5O5 and molecular weight 473.26 g/mol. IUPAC: ethyl 2-[[(1R)-1-cyclohexyl-2-[(2S)-2-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methylcarbamoyl]azetidin-1-yl]-2-oxoethyl]amino]acetate.
Chemical Property Profile of 希美加群
Property Insights of 希美加群
The XLogP value of 1.0998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 希美加群. The TPSA of 146.35 Ų indicates high polarity, suggesting 希美加群 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 希美加群 has 4 hydrogen bond donor(s) and 7 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 希美加群?
The CAS number of 希美加群 is 1243838-77-8.
What is the molecular formula of 希美加群?
The molecular formula of 希美加群 is C24H35N5O5.
What is the molecular weight of 希美加群?
The molecular weight of 希美加群 is 473.26 g/mol.
Where can I buy 希美加群?
You can request a quote for 希美加群 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 希美加群?
Yes, KEHONG BIO provides custom synthesis services for 希美加群 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.