![CAS 757192-84-0 ({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl}thio)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/757192-84-0.gif)
CAS RN: 757192-84-0
({2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-1-methyl-2-oxoethyl}thio)acetic acid
- Product code: SSC-185175
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 | Shenzhen | Inquiry |
757192-84-0 / 2-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanylacetic acid
Basic Information
CAS
757192-84-0
Multi CAS
No
Molecular Formula
C16H19N3O4S
Molecular Weight
349.400000
Exact Mass
349.109627
InChI
InChI=1S/C16H19N3O4S/c1-10-14(17-15(22)11(2)24-9-13(20)21)16(23)19(18(10)3)12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3,(H,17,22)(H,20,21)
InChIKey
ZEKLCZAVTAXCOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.93
TPSA
93.33
LogP / Solubility
WLOGP
1.63
MLOGP
1.45
XLogP3
0.7
Consensus LogP
1.26
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 757192-85-1 2-CHLORO-1-[1-(3,5-DICHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-CHLORO-1-[1-(3,5-DICHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE
- CAS RN: 757192-85-1
- Product Code: SSC-185176
-
Eupalinilide D
- CAS RN: 757202-14-5
- Product Code: starshine_CAS757202-14-5
- Purity/Analytical method: >99.0%
-
2-CHLORO-N-[2-(MESITYLAMINO)-2-OXOETHYL]ACETAMIDE
- CAS RN: 757220-30-7
- Product Code: SSC-185178
-
([1-METHYL-2-[(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL]THIO)ACETIC ACID
- CAS RN: 757220-90-9
- Product Code: SSC-185179
-
N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
- CAS RN: 757222-04-1
- Product Code: SSC-185180
-
Ethanone, 2-(thieno[2,3-d]pyrimidin-4-yloxy)-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-
- CAS RN: 757224-44-5
- Product Code: starshine_CAS757224-44-5
- Purity/Analytical method: >99.0%
![CAS 757192-85-1 2-CHLORO-1-[1-(3,5-DICHLOROPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]ETHANONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0334145.gif)
![CAS 757220-30-7 2-CHLORO-N-[2-(MESITYLAMINO)-2-OXOETHYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0218214.gif)
![CAS 757220-90-9 ([1-METHYL-2-[(5-METHYLISOXAZOL-3-YL)AMINO]-2-OXOETHYL]THIO)ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0235446.gif)
![CAS 757222-04-1 N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2396828.gif)
![CAS 757224-44-5 Ethanone, 2-(thieno[2,3-d]pyrimidin-4-yloxy)-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/757224-44-5.gif)