[email protected]
CAS 215168-33-5 (R)-Butaprost, free acid molecular structure lightbox
CAS RN: 215168-33-5

(R)-Butaprost, free acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS215168-33-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

215168-33-5 / 7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid

Standard CAS: 215168-33-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215168-33-5
Multi CAS
No
Molecular Formula
C23H38O5
Molecular Weight
394.500000
Exact Mass
394.271924
SMILES
CCCC1(CCC1)[C@@H](C/C=C/[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O)O
InChI
InChI=1S/C23H38O5/c1-2-13-23(14-8-15-23)21(26)11-7-10-18-17(19(24)16-20(18)25)9-5-3-4-6-12-22(27)28/h7,10,17-18,20-21,25-26H,2-6,8-9,11-16H2,1H3,(H,27,28)/b10-7+/t17-,18-,20-,21-/m1/s1
InChIKey
PAYNQYXOKJDXAV-NMXQQJQMSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.83
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
3
Molar refractivity
108.9
TPSA
94.83

LogP / Solubility

WLOGP
4.26
MLOGP
3.77
XLogP3
3.9
Consensus LogP
3.98
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.32
Class (SILICOS-IT)
Insoluble

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)
-2.11

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
4.5

Customers Also Viewed

Get In Touch

Contact Us