CAS RN: 1262326-46-4
Uralsaponin C
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250904 | 2mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1262326-46-4
- Purity/Analytical Methods: >99.0%
1262326-46-4 / (2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bS)-9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Basic Information
CAS
1262326-46-4
Multi CAS
No
Molecular Formula
C42H64O16
Molecular Weight
824.900000
Exact Mass
824.419436
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](C[C@H]5O)(C)CO)C)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O
InChI
InChI=1S/C42H64O16/c1-37(2)21-8-11-42(7)32(20(44)14-18-19-15-38(3,17-43)16-22(45)39(19,4)12-13-41(18,42)6)40(21,5)10-9-23(37)55-36-31(27(49)26(48)30(57-36)34(53)54)58-35-28(50)24(46)25(47)29(56-35)33(51)52/h14,19,21-32,35-36,43,45-50H,8-13,15-17H2,1-7H3,(H,51,52)(H,53,54)/t19-,21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,35-,36+,38+,39+,40-,41+,42+/m0/s1
InChIKey
ZFSRTFFNWLQWAO-UEFFDLHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Fraction Csp3
0.88
Rotatable bonds
7
H-bond acceptors
14
H-bond donors
9
Molar refractivity
200.28
TPSA
270.2
LogP / Solubility
WLOGP
1.12
MLOGP
1.06
XLogP3
2.5
Consensus LogP
1.56
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.8
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)
-6.95
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
![CAS 1262331-04-3 [1,1′-Biphenyl]-4-carboxaldehyde, 4′-(1,2,2-triphenylethenyl)- molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
[1,1′-Biphenyl]-4-carboxaldehyde, 4′-(1,2,2-triphenylethenyl)-
- CAS RN: 1262331-04-3
- Product Code: starshine_CAS1262331-04-3
- Purity/Analytical method: >99.0%
-
-
(S)-6-(tert-butoxycarbonyl)-6-azaspiro[2.5]octane-5-carboxylic acid
- CAS RN: 1262396-32-6
- Product Code: starshine_CAS1262396-32-6
- Purity/Analytical method: >99.0%
-
(S)-tert-butyl 6-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
- CAS RN: 1262397-12-5
- Product Code: SSC-033100
-
(S)-tert-butyl 6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate
- CAS RN: 1262397-26-1
- Product Code: SSC-033101
-
(S)-methyl 4,4-dimethylpyrrolidine-2-carboxylate hydrochloride
- CAS RN: 1262400-68-9
- Product Code: SSC-033104
![CAS 1262331-04-3 [1,1′-Biphenyl]-4-carboxaldehyde, 4′-(1,2,2-triphenylethenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262331-04-3.gif)
![CAS 1262396-32-6 (S)-6-(tert-butoxycarbonyl)-6-azaspiro[2.5]octane-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262396-32-6.gif)
![CAS 1262397-12-5 (S)-tert-butyl 6-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262397-12-5.gif)
![CAS 1262397-26-1 (S)-tert-butyl 6-(aminomethyl)-5-azaspiro[2.4]heptane-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262397-26-1.gif)
