CAS RN: 126485-47-0
11-O-syringylbergenin
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.20260327 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS126485-47-0
- Purity/Analytical Methods: >99.0%
126485-47-0 / [(2S,3R,4R,4aS,10bR)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
Basic Information
CAS
126485-47-0
Multi CAS
No
Molecular Formula
C23H24O13
Molecular Weight
508.400000
Exact Mass
508.121691
SMILES
COC1=CC(=CC(=C1O)OC)C(=O)OC[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)C4=C(C(=C(C=C4C(=O)O3)O)OC)O)O)O
InChI
InChI=1S/C23H24O13/c1-31-11-4-8(5-12(32-2)15(11)25)22(29)34-7-13-16(26)18(28)21-20(35-13)14-9(23(30)36-21)6-10(24)19(33-3)17(14)27/h4-6,13,16,18,20-21,24-28H,7H2,1-3H3/t13-,16-,18+,20+,21-/m0/s1
InChIKey
GXCBETDJJWPGAQ-PCOXRIKQSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
13
H-bond donors
5
Molar refractivity
116.65
TPSA
190.67
LogP / Solubility
WLOGP
0.39
MLOGP
0.38
XLogP3
0.3
Consensus LogP
0.36
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.01
Class (SILICOS-IT)
Slightly soluble
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)
-5.55
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
3-(3-METHOXYPHENYL)BENZALDEHYDE
- CAS RN: 126485-58-3
- Product Code: starshine_CAS126485-58-3
- Purity/Analytical method: >99.0%
-
1’H-Spiro[cyclohexane-1,2′-quinazoline]-4′-thiol
- CAS RN: 126492-23-7
- Product Code: starshine_CAS126492-23-7
- Purity/Analytical method: >99.0%
-
1-(2-bromophenyl)-2-methylpropan-2-ol
- CAS RN: 126495-44-1
- Product Code: starshine_CAS126495-44-1
- Purity/Analytical method: >99.0%
-
(S)-tert-butyl methyl aziridine-1,2-dicarboxylate
- CAS RN: 126496-79-5
- Product Code: SSC-033574
-
N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester
- CAS RN: 126496-81-9
- Product Code: SSC-033575
-
1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLIC ACID
- CAS RN: 126501-70-0
- Product Code: SSC-033578
![CAS 126492-23-7 1’H-Spiro[cyclohexane-1,2′-quinazoline]-4′-thiol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126492-23-7.gif)
![CAS 126496-81-9 N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126496-81-9.gif)
