米瑞他匹
TL;DR: 米瑞他匹 (CAS 179602-65-4) is a chemical compound with molecular formula C36H41ClN8O4S and molecular weight 716.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
米瑞他匹
2-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2S,4R)-2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Also Known As: Mitratapide, Mitratapid, Yarvitan, Mitratapida, mitratapidum
| Molecular Formula | C36H41ClN8O4S |
|---|---|
| Molecular Weight | 716.27 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 716.266 |
| Heavy Atoms | 50 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 179602-65-4 |
|---|---|
| SMILES | CC[C@@H](C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CSC6=NN=CN6C)C7=CC=C(C=C7)Cl |
| InChIKey | HQSRVYUCBOCBLY-XOOFNSLWSA-N |
Product Overview
米瑞他匹 (CAS 179602-65-4), with molecular formula C36H41ClN8O4S and molecular weight 716.27 g/mol. IUPAC: 2-[(2R)-butan-2-yl]-4-[4-[4-[4-[[(2S,4R)-2-(4-chlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 米瑞他匹
Property Insights of 米瑞他匹
The XLogP value of 5.4 indicates that 米瑞他匹 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 米瑞他匹. Following Lipinski's Rule of Five, 米瑞他匹 has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 米瑞他匹?
The CAS number of 米瑞他匹 is 179602-65-4.
What is the molecular formula of 米瑞他匹?
The molecular formula of 米瑞他匹 is C36H41ClN8O4S.
What is the molecular weight of 米瑞他匹?
The molecular weight of 米瑞他匹 is 716.27 g/mol.
Where can I buy 米瑞他匹?
You can request a quote for 米瑞他匹 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 米瑞他匹?
Yes, KEHONG BIO provides custom synthesis services for 米瑞他匹 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.