![CAS 439687-69-1 (2S,4R)-1-[(R)-5-CHLORO-1-(2,4-DIMETHOXY-BENZENESULFONYL)-3-(2-METHOXY-PHENYL)-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL]-4-HYDROXY-PYRROLIDINE-2-CARBOXYLIC ACID DIMETHYLAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/439687-69-1.gif)
CAS RN: 439687-69-1
(2S,4R)-1-[(R)-5-CHLORO-1-(2,4-DIMETHOXY-BENZENESULFONYL)-3-(2-METHOXY-PHENYL)-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YL]-4-HYDROXY-PYRROLIDINE-2-CARBOXYLIC ACID DIMETHYLAMIDE
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260604 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS439687-69-1
- Purity/Analytical Methods: >99.0%
439687-69-1 / (2S,4R)-1-[(3R)-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
Basic Information
CAS
439687-69-1
Multi CAS
Yes
Molecular Formula
C30H32CLN3O8S
Molecular Weight
630.100000
Exact Mass
629.159864
InChI
InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1
InChIKey
NJXZWIIMWNEOGJ-WEWKHQNJSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
18
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
1
Molar refractivity
159.26
TPSA
125.92
LogP / Solubility
WLOGP
2.87
MLOGP
2.58
XLogP3
3.4
Consensus LogP
2.95
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.1
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)
-4.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
![CAS 439691-80-2 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE
- CAS RN: 439691-80-2
- Product Code: starshine_CAS439691-80-2
- Purity/Analytical method: >99.0%
-
-
Ethyl 4-Cyclopropyl-1,3-thiazole-2-carboxylate
- CAS RN: 439692-05-4
- Product Code: SSC-152025
-
4-CHLORO-6-ISOPROPYL-THIENO[2,3-D]PYRIMIDINE
- CAS RN: 439692-52-1
- Product Code: SSC-152028
-
6-TERT-BUTYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE
- CAS RN: 439692-54-3
- Product Code: starshine_CAS439692-54-3
- Purity/Analytical method: >99.0%
-
6-TERT-BUTYL-4-CHLOROTHIENO[2,3-D]PYRIMIDINE
- CAS RN: 439692-55-4
- Product Code: SSC-152029
![CAS 439691-80-2 4-[(4-METHYLPIPERAZIN-1-YL)METHYL]BENZALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/439691-80-2.gif)
![CAS 439692-52-1 4-CHLORO-6-ISOPROPYL-THIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5204298.gif)
![CAS 439692-54-3 6-TERT-BUTYL-3H-THIENO[2,3-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/439692-54-3.gif)
![CAS 439692-55-4 6-TERT-BUTYL-4-CHLOROTHIENO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1196131.gif)