CAS RN: 252353-18-7
2-(1,3-BENZOXAZOL-2-YLTHIO)PROPANOIC ACID
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.20260520 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS252353-18-7
- Purity/Analytical Methods: >99.0%
252353-18-7 / 2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
Basic Information
CAS
252353-18-7
Multi CAS
No
Molecular Formula
C10H9NO3S
Molecular Weight
223.250000
Exact Mass
223.030314
SMILES
CC(C(=O)O)SC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C10H9NO3S/c1-6(9(12)13)15-10-11-7-4-2-3-5-8(7)14-10/h2-6H,1H3,(H,12,13)
InChIKey
MWCCDEDKPAULRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.96
TPSA
63.33
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.7
Consensus LogP
2.4
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
(R,S)-Boc-2-amino-4,4-difluoro-butyric acid
- CAS RN: 252357-43-0
- Product Code: starshine_CAS252357-43-0
- Purity/Analytical method: >99.0%
-
-
t-Boc-Aminoxy-PEG3-alcohol
- CAS RN: 252378-66-8
- Product Code: starshine_CAS252378-66-8
- Purity/Analytical method: >99.0%
-
Boc-Aminooxy-PEG2-bromide
- CAS RN: 252378-67-9
- Product Code: starshine_CAS252378-67-9
- Purity/Analytical method: >99.0%
-
