布瑞那韦
TL;DR: 布瑞那韦 (CAS 357336-20-0) is a chemical compound with molecular formula C33H41N3O10S2 and molecular weight 703.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布瑞那韦
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate
Also Known As: Brecanavir, Brivaracetam, brecanavirum, 2fdd, 2fde
| Molecular Formula | C33H41N3O10S2 |
|---|---|
| Molecular Weight | 703.22 g/mol |
| LogP | 3.86572 |
| Topological Polar Surface Area | 154.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 703.2233 |
| Heavy Atoms | 48 |
| Complexity | 1665.9474 |
Chemical Identifiers
| CAS Number | 357336-20-0 |
|---|---|
| SMILES | CC1=NC(=CS1)COC2=CC=C(C=C2)C[C@@H]([C@@H](CN(CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6 |
Product Overview
布瑞那韦 (CAS 357336-20-0), with molecular formula C33H41N3O10S2 and molecular weight 703.22 g/mol. IUPAC: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-yl]carbamate.
Chemical Property Profile of 布瑞那韦
Property Insights of 布瑞那韦
The XLogP value of 3.86572 indicates that 布瑞那韦 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.98 Ų indicates high polarity, suggesting 布瑞那韦 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 布瑞那韦 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 布瑞那韦?
The CAS number of 布瑞那韦 is 357336-20-0.
What is the molecular formula of 布瑞那韦?
The molecular formula of 布瑞那韦 is C33H41N3O10S2.
What is the molecular weight of 布瑞那韦?
The molecular weight of 布瑞那韦 is 703.22 g/mol.
Where can I buy 布瑞那韦?
You can request a quote for 布瑞那韦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布瑞那韦?
Yes, KEHONG BIO provides custom synthesis services for 布瑞那韦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.