CAS RN: 5870-37-1
1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-, diMethyl ester
- Product code: SSC-167021
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
5870-37-1 / dimethyl 2,5-dihydroxybenzene-1,4-dicarboxylate
Basic Information
CAS
5870-37-1
Multi CAS
Yes
Molecular Formula
C10H10O6
Molecular Weight
226.180000
Exact Mass
226.047738
InChI
InChI=1S/C10H10O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4,11-12H,1-2H3
InChIKey
WABMHCVYKWKAAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
52.45
TPSA
93.06
LogP / Solubility
WLOGP
0.67
MLOGP
0.59
XLogP3
2
Consensus LogP
1.09
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
Class (SILICOS-IT)
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)
-3.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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