CAS RN: 885269-36-3
N-(4′-Chloro-4-biphenylylsulfonyl)glycine
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.20260315 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885269-36-3
- Purity/Analytical Methods: >99.0%
885269-36-3 / 2-[[4-(4-chlorophenyl)phenyl]sulfonylamino]acetic acid
Basic Information
CAS
885269-36-3
Multi CAS
No
Molecular Formula
C14H12CLNO4S
Molecular Weight
325.800000
Exact Mass
325.017557
InChI
InChI=1S/C14H12ClNO4S/c15-12-5-1-10(2-6-12)11-3-7-13(8-4-11)21(19,20)16-9-14(17)18/h1-8,16H,9H2,(H,17,18)
InChIKey
HGCYZTUZASOKFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.71
TPSA
83.47
LogP / Solubility
WLOGP
2.37
MLOGP
2.1
XLogP3
2.7
Consensus LogP
2.39
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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