CAS RN: 144208-62-8
Toluene-4-sulfonic acid 2-(2-benzyloxycarbonylamino-ethoxy)-ethyl ester
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260329 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250607 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250702 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260309 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250115 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: starshine_CAS144208-62-8
- Purity/Analytical Methods: >99.0%
144208-62-8 / 2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
144208-62-8
Multi CAS
No
Molecular Formula
C19H23NO6S
Molecular Weight
393.500000
Exact Mass
393.124609
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H23NO6S/c1-16-7-9-18(10-8-16)27(22,23)26-14-13-24-12-11-20-19(21)25-15-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,20,21)
InChIKey
BDNVZFIGDYNZFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.77
TPSA
90.93
LogP / Solubility
WLOGP
2.64
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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
Yes
Log Kp (skin permeation)
-3.24
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
2.5
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