CAS RN: 81703-55-1
6,9ALPHA-METHYLENE-9BETA-METHYL-11ALPHA,15S-DIHYDROXY-PROSTA-5Z,13E-DIEN-1-OIC ACID, CALCIUM SALT
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.20260523 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS81703-55-1
- Purity/Analytical Methods: >99.0%
81703-55-1 / calcium bis((5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-6a-methyl-1,3,3a,4,5,6-hexahydropentalen-2-ylidene]pentanoate)
Basic Information
CAS
81703-55-1
Multi CAS
Yes
Molecular Formula
C44H70CAO8
Molecular Weight
767.100000
Exact Mass
766.469660
InChI
InChI=1S/2C22H36O4.Ca/c2*1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24;/h2*8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26);/q;;+2/p-2/b2*12-11+,16-8-;/t2*17-,18+,19+,20+,22-;/m00./s1
InChIKey
NJTMVDAFPIEZAJ-BMKVUGPNSA-L
Computed Properties
Structural Parameters
Heavy atom count
53
Fraction Csp3
0.77
Rotatable bonds
20
H-bond acceptors
8
H-bond donors
4
Molar refractivity
208.1
TPSA
161.18
LogP / Solubility
WLOGP
5.87
MLOGP
5.24
XLogP3
5.87
Consensus LogP
5.66
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-10.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.92
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
Yes
Log Kp (skin permeation)
-3.23
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
9.5
Customers Also Viewed
-
2-PYRIDIN-4-YL-ETHANESULFONYL CHLORIDEHYDROCHLORIDE
- CAS RN: 81705-92-2
- Product Code: SSC-190067
-
2-(4-aminophenyl)-N,N-dimethylacetamide
- CAS RN: 81709-36-6
- Product Code: starshine_CAS81709-36-6
- Purity/Analytical method: >99.0%
-
5-METHOXY-3-METHYL-BENZOFURAN-2-CARBOXYLIC ACID
- CAS RN: 81718-77-6
- Product Code: SSC-190074
-
-
[(1aS,1bα,5aα,6aβ)-1a,1b,2,5a,6,6a-Hexahydro-6α-hydroxy-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]6-O-α-D-galactopyranosyl-β-D-glucopyranoside
- CAS RN: 81720-05-0
- Product Code: starshine_CAS81720-05-0
- Purity/Analytical method: >99.0%
-
[(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside
- CAS RN: 81720-07-2
- Product Code: starshine_CAS81720-07-2
- Purity/Analytical method: >99.0%
![CAS 81720-05-0 [(1aS,1bα,5aα,6aβ)-1a,1b,2,5a,6,6a-Hexahydro-6α-hydroxy-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]6-O-α-D-galactopyranosyl-β-D-glucopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81720-05-0.gif)
![CAS 81720-07-2 [(1S,4aα,7aα)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5β-hydroxycyclopenta[c]pyran-7α-yl]α-D-galactopyranoside molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81720-07-2.gif)