CAS RN: 1906919-67-2
BAY-598(S-isomer)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260510 | 1mg / 5mg / 25mg | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-089254
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1906919-67-2 / N-[(4S)-2-[N-cyano-N'-[3-(difluoromethoxy)phenyl]carbamimidoyl]-5-(3,4-dichlorophenyl)-3,4-dihydropyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
Basic Information
CAS
1906919-67-2
Multi CAS
No
Molecular Formula
C22H20Cl2F2N6O3
Molecular Weight
525.300000
Exact Mass
524.094200
SMILES
CCN([C@H]1CN(N=C1C2=CC(=C(C=C2)Cl)Cl)C(=NC3=CC(=CC=C3)OC(F)F)NC#N)C(=O)CO
InChI
InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1
InChIKey
OTTJIRVZJJGFTK-SFHVURJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
126.88
TPSA
113.55
LogP / Solubility
WLOGP
3.58
MLOGP
3.19
XLogP3
4.4
Consensus LogP
3.72
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1907298-01-4 tert-butyl imidazo[1,2-a]pyridin-2-ylcarbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl imidazo[1,2-a]pyridin-2-ylcarbamate
- CAS RN: 1907298-01-4
- Product Code: SSC-089262
-
6,6′,6”-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(2-naphthoic acid)
- CAS RN: 1907697-57-7
- Product Code: starshine_CAS1907697-57-7
- Purity/Analytical method: >99.0%
-
β-Alanine, N-ethyl-N-(3-methylbenzoyl)-, ethyl ester
- CAS RN: 1908259-42-6
- Product Code: starshine_CAS1908259-42-6
- Purity/Analytical method: >99.0%
-
β-Alanine, N-butyl-N-(2-methylbenzoyl)-, ethyl ester
- CAS RN: 1908264-41-4
- Product Code: starshine_CAS1908264-41-4
- Purity/Analytical method: >99.0%
-
LMPTP inhibitor1
- CAS RN: 1908414-82-3
- Product Code: starshine_CAS1908414-82-3
- Purity/Analytical method: >99.0%
-
“(4R,4’R,5S,5’S)- 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4,5-diphenyl-Oxazole”
- CAS RN: 1908437-58-0
- Product Code: SSC-089321
![CAS 1907298-01-4 tert-butyl imidazo[1,2-a]pyridin-2-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1907298-01-4.gif)
![CAS 1908437-58-0 “(4R,4’R,5S,5’S)- 2,2′-[2-[4-(1,1-dimethylethyl)phenyl]-1-[[4-(1,1-dimethylethyl)phenyl]methyl]ethylidene]bis[4,5-dihydro-4,5-diphenyl-Oxazole” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1908437-58-0.gif)