CAS RN: 30462-35-2
Theaflavin 3,3′-digallate, Analytical reference
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250619 | 100mg | Out of stock | Inquiry | |
| Batchno.20260501 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250115 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260616 | 250mg | Out of stock | Inquiry | |
| Batchno.20251202 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260301 | 50mg | Out of stock | Inquiry | |
| Batchno.20250622 | 5mg | In stock | Shanghai | Inquiry |
- Product code: LINT889664
30462-35-2 / (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
Basic Information
CAS
30462-35-2
Multi CAS
Yes
Molecular Formula
C19H30O4
Molecular Weight
322.400000
Exact Mass
322.214409
InChI
InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
InChIKey
BCIWKKMTBRYQJU-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
91.99
TPSA
66.76
LogP / Solubility
WLOGP
4.01
MLOGP
3.55
XLogP3
4.2
Consensus LogP
3.92
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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