CAS RN: 934495-38-2
(S)-4-(1-Hydrazinylethyl)benzoic Acid Ethyl Ester Benzenesulfonate
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.20251023 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS934495-38-2
- Purity/Analytical Methods: >99.0%
934495-38-2 / benzenesulfonic acid;ethyl 4-[(1S)-1-hydrazinylethyl]benzoate
Basic Information
CAS
934495-38-2
Multi CAS
Yes
Molecular Formula
C17H22N2O5S
Molecular Weight
366.400000
Exact Mass
366.124943
InChI
InChI=1S/C11H16N2O2.C6H6O3S/c1-3-15-11(14)10-6-4-9(5-7-10)8(2)13-12;7-10(8,9)6-4-2-1-3-5-6/h4-8,13H,3,12H2,1-2H3;1-5H,(H,7,8,9)/t8-;/m0./s1
InChIKey
RKELBFSJSQMTLO-QRPNPIFTSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
94.39
TPSA
118.72
LogP / Solubility
WLOGP
2.32
MLOGP
2.06
XLogP3
2.32
Consensus LogP
2.23
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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