雷米克仑
TL;DR: 雷米克仑 (CAS 126222-34-2) is a chemical compound with molecular formula C33H50N4O6S and molecular weight 630.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雷米克仑
2-benzyl-3-tert-butylsulfonyl-N-[1-[(1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide
Also Known As: Remikiren, Ro 42-5892; Ro 42-5892/001, 2-benzyl-3-tert-butylsulfonyl-N-[1-[(1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide, N-(1-Cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)-Nalpha-{2-[(2-methylpropane-2-sulfonyl)methyl]-3-phenylpropanoyl}histidinamide
| Molecular Formula | C33H50N4O6S |
|---|---|
| Molecular Weight | 630.35 g/mol |
| LogP | 3.0962 |
| Topological Polar Surface Area | 161.48 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 630.3451 |
| Heavy Atoms | 44 |
| Complexity | 1301.4983 |
Chemical Identifiers
| CAS Number | 126222-34-2 |
|---|---|
| SMILES | CC(C)(C)S(=O)(=O)CC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3CCCCC3)C(C(C4CC4)O)O |
Product Overview
雷米克仑 (CAS 126222-34-2), with molecular formula C33H50N4O6S and molecular weight 630.35 g/mol. IUPAC: 2-benzyl-3-tert-butylsulfonyl-N-[1-[(1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]propanamide.
Chemical Property Profile of 雷米克仑
Property Insights of 雷米克仑
The XLogP value of 3.0962 indicates that 雷米克仑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.48 Ų indicates high polarity, suggesting 雷米克仑 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 雷米克仑 has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 雷米克仑?
The CAS number of 雷米克仑 is 126222-34-2.
What is the molecular formula of 雷米克仑?
The molecular formula of 雷米克仑 is C33H50N4O6S.
What is the molecular weight of 雷米克仑?
The molecular weight of 雷米克仑 is 630.35 g/mol.
Where can I buy 雷米克仑?
You can request a quote for 雷米克仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雷米克仑?
Yes, KEHONG BIO provides custom synthesis services for 雷米克仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.