波生坦水合物
TL;DR: 波生坦水合物 (CAS 157212-55-0) is a chemical compound with molecular formula C22H27N2O4S+ and molecular weight 415.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
波生坦水合物
2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium
Also Known As: Bosentan hydrate, 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium, Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-, hydrate (1:1)
| Molecular Formula | C22H27N2O4S+ |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.16916 |
| Heavy Atoms | 29 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 157212-55-0 |
|---|---|
| SMILES | CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CC=C(C=C3)OC |
| InChIKey | HSUGRBWQSSZJOP-UHFFFAOYSA-O |
Product Overview
波生坦水合物 (CAS 157212-55-0), with molecular formula C22H27N2O4S+ and molecular weight 415.17 g/mol. IUPAC: 2-[3-acetyloxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium.
Chemical Property Profile of 波生坦水合物
Property Insights of 波生坦水合物
The XLogP value of 3.1 indicates that 波生坦水合物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 波生坦水合物. Following Lipinski's Rule of Five, 波生坦水合物 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 波生坦水合物?
The CAS number of 波生坦水合物 is 157212-55-0.
What is the molecular formula of 波生坦水合物?
The molecular formula of 波生坦水合物 is C22H27N2O4S+.
What is the molecular weight of 波生坦水合物?
The molecular weight of 波生坦水合物 is 415.17 g/mol.
Where can I buy 波生坦水合物?
You can request a quote for 波生坦水合物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 波生坦水合物?
Yes, KEHONG BIO provides custom synthesis services for 波生坦水合物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.