CAS RN: 23094-71-5
chebulagic acid
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.20260224 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250412 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250708 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250816 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260305 | 5mg | In stock | Shanghai, Guangdong, Chongqing | Inquiry |
- Product code: starshine_CAS23094-71-5
- Purity/Analytical Methods: >99.0%
23094-71-5 / 2-[(4R,5S,7R,25S,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
Basic Information
CAS
23094-71-5
Multi CAS
No
Molecular Formula
C41H30O27
Molecular Weight
954.700000
Exact Mass
954.097446
SMILES
C1[C@@H]2C3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
InChI
InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18+,22-,30-,31+,33-,34+,41-/m0/s1
InChIKey
HGJXAVROWQLCTP-YABCKIEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
26
H-bond donors
13
Molar refractivity
205.85
TPSA
447.09
LogP / Solubility
MLOGP
0.09
XLogP3
0.4
Consensus LogP
0.16
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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- CAS RN: 23095-31-0
- Product Code: starshine_CAS23095-31-0
- Purity/Analytical method: >99.0%
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