CAS RN: 203626-61-3
5-Ethoxyisophthalic acid
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251213 | 1g | In stock | Shenzhen | Inquiry | |
| Batchno.20250209 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250913 | 250mg | In stock | Chengdu | Inquiry | |
| Batchno.20250722 | 250mg | In stock | Shanghai, Shandong | Inquiry | |
| Batchno.20250309 | 5g | In stock | Tianjin, Wuhan | Inquiry | |
| Batchno.20250307 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE887295
203626-61-3 / 5-ethoxybenzene-1,3-dicarboxylic acid
Basic Information
CAS
203626-61-3
Multi CAS
No
Molecular Formula
C10H10O5
Molecular Weight
210.180000
Exact Mass
210.052823
SMILES
CCOC1=CC(=CC(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C10H10O5/c1-2-15-8-4-6(9(11)12)3-7(5-8)10(13)14/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKey
WQONHTZYNXJZIC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.53
TPSA
83.83
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
