Hydroxybosentan
TL;DR: Hydroxybosentan (CAS 1065472-91-4) is a chemical compound with molecular formula C27H29N5O7S and molecular weight 567.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
Also Known As: Hydroxy Bosentan, Hydroxybosentan, Hydroxy Bosentan-d6, Hydroxyl bosentan, Hydroxy Bosentan-d4
| Molecular Formula | C27H29N5O7S |
|---|---|
| Molecular Weight | 567.18 g/mol |
| LogP | 3.1763 |
| Topological Polar Surface Area | 165.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 567.1788 |
| Heavy Atoms | 40 |
| Complexity | 1549.8032 |
Chemical Identifiers
| CAS Number | 1065472-91-4 |
|---|---|
| SMILES | CC(C)(CO)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC |
Product Overview
Hydroxybosentan (CAS 1065472-91-4), with molecular formula C27H29N5O7S and molecular weight 567.18 g/mol. IUPAC: N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
Chemical Property Profile of Hydroxybosentan
Property Insights of Hydroxybosentan
The XLogP value of 3.1763 indicates that Hydroxybosentan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.88 Ų indicates high polarity, suggesting Hydroxybosentan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydroxybosentan has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hydroxybosentan?
The CAS number of Hydroxybosentan is 1065472-91-4.
What is the molecular formula of Hydroxybosentan?
The molecular formula of Hydroxybosentan is C27H29N5O7S.
What is the molecular weight of Hydroxybosentan?
The molecular weight of Hydroxybosentan is 567.18 g/mol.
Where can I buy Hydroxybosentan?
You can request a quote for Hydroxybosentan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxybosentan?
Yes, KEHONG BIO provides custom synthesis services for Hydroxybosentan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.