CAS RN: 1221178-16-0
Dehydroborapetoside B
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.20260621 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1221178-16-0
- Purity/Analytical Methods: >99.0%
1221178-16-0 / methyl (2S,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,9,10,10a-hexahydrobenzo[f]isochromene-7-carboxylate
Basic Information
CAS
1221178-16-0
Multi CAS
No
Molecular Formula
C27H34O12
Molecular Weight
550.600000
Exact Mass
550.205027
SMILES
C[C@@]12C[C@H](OC(=O)C1=C[C@@H]([C@@]3([C@H]2C[C@H](C=C3C(=O)OC)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=COC=C5
InChI
InChI=1S/C27H34O12/c1-26-9-16(12-4-5-36-11-12)37-24(34)14(26)8-19(39-25-22(32)21(31)20(30)17(10-28)38-25)27(2)15(23(33)35-3)6-13(29)7-18(26)27/h4-6,8,11,13,16-22,25,28-32H,7,9-10H2,1-3H3/t13-,16-,17+,18-,19-,20+,21-,22+,25-,26+,27-/m0/s1
InChIKey
CGKGCFDWGXCUDW-CGNVXPGMSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
5
Fraction Csp3
0.63
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
5
Molar refractivity
129.31
TPSA
185.35
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.06
XLogP3
-0.1
Consensus LogP
-0.09
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-6.16
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
1,2-di(3-thienyl)benzene
- CAS RN: 1221184-53-7
- Product Code: starshine_CAS1221184-53-7
- Purity/Analytical method: >99.0%
-
6-[(3-aMinophenyl)Methyl]-4,6-dihydro-4-Methyl-2-(Methylsulfinyl)-5H-Thieno[2′,3′:4,5]pyrrolo[2,3-d]pyridazin-5-one
- CAS RN: 1221186-53-3
- Product Code: SSC-025052
-
ethyl 2-broMo-6-forMyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
- CAS RN: 1221186-54-4
- Product Code: starshine_CAS1221186-54-4
- Purity/Analytical method: >99.0%
-
(S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
- CAS RN: 1221187-74-1
- Product Code: SSC-025054
-
-
6-Bromo-5-chloro-isoquinoline
- CAS RN: 1221232-30-9
- Product Code: starshine_CAS1221232-30-9
- Purity/Analytical method: >99.0%
![CAS 1221186-53-3 6-[(3-aMinophenyl)Methyl]-4,6-dihydro-4-Methyl-2-(Methylsulfinyl)-5H-Thieno[2′,3′:4,5]pyrrolo[2,3-d]pyridazin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221186-53-3.gif)
![CAS 1221186-54-4 ethyl 2-broMo-6-forMyl-4H-thieno[3,2-b]pyrrole-5-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221186-54-4.gif)
![CAS 1221187-74-1 (S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB23961661.gif)
