CAS RN: 298708-81-3
Bay 41-4109
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260617 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS298708-81-3
- Purity/Analytical Methods: >99.0%
298708-81-3 / methyl (4R)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Basic Information
CAS
298708-81-3
Multi CAS
No
Molecular Formula
C18H13CLF3N3O2
Molecular Weight
395.800000
Exact Mass
395.064839
InChI
InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1
InChIKey
FVNJBPMQWSIGJK-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
92.69
TPSA
63.58
LogP / Solubility
WLOGP
3.69
MLOGP
3.27
XLogP3
3.1
Consensus LogP
3.35
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
methyl 2-acetyl-3-(2-chloro-4-fluorophenyl)acrylate
- CAS RN: 298709-35-0
- Product Code: SSC-133131
-
(1R,4R)-4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylic acid
- CAS RN: 298716-03-7
- Product Code: SSC-133135
-
-
1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]HYDRAZINE HYDROCHLORIDE
- CAS RN: 299163-40-9
- Product Code: SSC-133272
-
HYDRAZINE,(4-CHLORO-3-FLUOROPHENYL)-,HYDROCHLORIDE (1:1)
- CAS RN: 299163-41-0
- Product Code: SSC-133273
![CAS 299163-40-9 1-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]HYDRAZINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/299163-40-9.png)
