[email protected]
CAS 13345-51-2 PROSTAGLANDIN B1 molecular structure lightbox
CAS RN: 13345-51-2

PROSTAGLANDIN B1

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260509 1mg In stock Shanghai Inquiry
Batchno.20250310 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS13345-51-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13345-51-2 / 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid

Standard CAS: 13345-51-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
13345-51-2
Multi CAS
No
Molecular Formula
C20H32O4
Molecular Weight
336.500000
Exact Mass
336.230060
SMILES
CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
InChIKey
YBHMPNRDOVPQIN-VSOYFRJCSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.7
Rotatable bonds
13
H-bond acceptors
3
H-bond donors
2
Molar refractivity
95.89
TPSA
74.6

LogP / Solubility

WLOGP
4.57
MLOGP
4.04
XLogP3
4
Consensus LogP
4.2
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53

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
3

Customers Also Viewed

Get In Touch

Contact Us