RefChem:487960
TL;DR: RefChem:487960 (CAS 744214-38-8) is a chemical compound with molecular formula C32H30N4O6S and molecular weight 598.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis[(4-hydroxyphenyl)methyl]-3-oxo-1,2,4-triazepan-1-yl]sulfonyl]benzonitrile
Also Known As: 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE, N0001-013355, BH0, 3-[[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis[(4-hydroxyphenyl)methyl]-3-oxo-1,2,4-triazepan-1-yl]sulfonyl]benzonitrile, 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril
| Molecular Formula | C32H30N4O6S |
|---|---|
| Molecular Weight | 598.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.1886 |
| Heavy Atoms | 43 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 744214-38-8 |
|---|---|
| SMILES | C1[C@H]([C@H](N(C(=O)N(N1S(=O)(=O)C2=CC=CC(=C2)C#N)CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)O |
| InChIKey | UYUWNNRWESUYOB-FIRIVFDPSA-N |
Product Overview
RefChem:487960 (CAS 744214-38-8), with molecular formula C32H30N4O6S and molecular weight 598.19 g/mol. IUPAC: 3-[[(5R,6R)-5-benzyl-6-hydroxy-2,4-bis[(4-hydroxyphenyl)methyl]-3-oxo-1,2,4-triazepan-1-yl]sulfonyl]benzonitrile.
Chemical Property Profile of RefChem:487960
Property Insights of RefChem:487960
The XLogP value of 3.9 indicates that RefChem:487960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:487960 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:487960 has 3 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 RefChem:487960?
The CAS number of RefChem:487960 is 744214-38-8.
What is the molecular formula of RefChem:487960?
The molecular formula of RefChem:487960 is C32H30N4O6S.
What is the molecular weight of RefChem:487960?
The molecular weight of RefChem:487960 is 598.19 g/mol.
Where can I buy RefChem:487960?
You can request a quote for RefChem:487960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:487960?
Yes, KEHONG BIO provides custom synthesis services for RefChem:487960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.