CAS RN: 27415-26-5
11BETA-PROSTAGLANDIN E1
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 1mg | In stock | Shanghai, Hebei | Inquiry |
- Product code: starshine_CAS27415-26-5
- Purity/Analytical Methods: >99.0%
27415-26-5 / 7-[3,5-dihydroxy-2-(3-hydroxyoct-1-enyl)cyclopentyl]hept-5-enoic acid
Basic Information
CAS
27415-26-5
Multi CAS
No
Molecular Formula
C20H34O5
Molecular Weight
354.500000
Exact Mass
354.240624
SMILES
CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
InChI
InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18-,19+/m0/s1
InChIKey
PXGPLTODNUVGFL-NAPLMKITSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.75
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
4
Molar refractivity
98.14
TPSA
97.99
LogP / Solubility
WLOGP
3.04
MLOGP
2.7
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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- CAS RN: 27427-89-0
- Product Code: starshine_CAS27427-89-0
- Purity/Analytical method: >99.0%
