![CAS 742094-60-6 [[(3-NITRO-4-PYRROLIDIN-1-YLPHENYL)SULFONYL]AMINO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2309433.gif)
CAS RN: 742094-60-6
[[(3-NITRO-4-PYRROLIDIN-1-YLPHENYL)SULFONYL]AMINO]ACETIC ACID
- Product code: SSC-183667
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 |
742094-60-6 / 2-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]acetic acid
Basic Information
CAS
742094-60-6
Multi CAS
No
Molecular Formula
C12H15N3O6S
Molecular Weight
329.330000
Exact Mass
329.068156
InChI
InChI=1S/C12H15N3O6S/c16-12(17)8-13-22(20,21)9-3-4-10(11(7-9)15(18)19)14-5-1-2-6-14/h3-4,7,13H,1-2,5-6,8H2,(H,16,17)
InChIKey
QRJVNKHBCYPSLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
77.37
TPSA
129.85
LogP / Solubility
WLOGP
0.56
MLOGP
0.51
XLogP3
0.9
Consensus LogP
0.66
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 742094-79-7 [(4-ALLYL-5-OXO-4,5-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-1-YL)THIO]ACETIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[(4-ALLYL-5-OXO-4,5-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-1-YL)THIO]ACETIC ACID
- CAS RN: 742094-79-7
- Product Code: SSC-183668
-
5-BROMO-2-(N-MORPHOLINO)-BENZALDEHYDE
- CAS RN: 742099-65-6
- Product Code: starshine_CAS742099-65-6
- Purity/Analytical method: >99.0%
-
-
Di-t-butyl(2,2-diphenyl-1-methylcyclopropyl)phosphinecBRIDP
- CAS RN: 742103-27-1
- Product Code: SSC-183673
-
C-(3,4-DICHLORO-PHENYL)-C-PHENYL-METHYLAMINE HYDROCHLORIDE
- CAS RN: 742107-57-9
- Product Code: SSC-183674
-
OSU-03012
- CAS RN: 742112-33-0
- Product Code: starshine_CAS742112-33-0
- Purity/Analytical method: >99.0%
![CAS 742094-79-7 [(4-ALLYL-5-OXO-4,5-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-1-YL)THIO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2115283.gif)
