CAS RN: 157212-55-0
Bosentan Monohydrate
Product Availability
Choose a grade to view its available package options.
10 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251217 | 10g | Out of stock | Inquiry | ||
| Batchno.20250204 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251219 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260102 | 1g | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250213 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250625 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260329 | 250mg | In stock | Shanghai, Shandong, Guangdong | Inquiry | |
| Batchno.20251018 | 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250815 | 5g | In stock | Shanghai | Inquiry | |
| Batchno.20260416 | 5g | In stock | Hebei | Inquiry |
- Product code: SSC-066307
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
157212-55-0 / 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate
Basic Information
CAS
157212-55-0
Multi CAS
No
Molecular Formula
C27H31N5O7S
Molecular Weight
569.600000
Exact Mass
569.194420
SMILES
CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC.O
InChI
InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2
InChIKey
SXTRWVVIEPWAKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
2
Molar refractivity
148.27
TPSA
177.15
LogP / Solubility
WLOGP
3.38
MLOGP
3.02
XLogP3
3.38
Consensus LogP
3.26
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (16.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
