[email protected]
CAS 61849-14-7 PROSTACYCLIN SODIUM SALT molecular structure lightbox
CAS RN: 61849-14-7

PROSTACYCLIN SODIUM SALT

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS61849-14-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

61849-14-7 / sodium (5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

Standard CAS: 61849-14-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61849-14-7
Multi CAS
Yes
Molecular Formula
C20H31NAO5
Molecular Weight
374.400000
Exact Mass
374.206918
InChI
InChI=1S/C20H32O5.Na/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22;/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24);/q;+1/p-1/b11-10+,15-8-;/t14-,16+,17+,18+,19-;/m0./s1
InChIKey
LMHIPJMTZHDKEW-XQYLJSSYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.75
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.32
TPSA
89.82

LogP / Solubility

WLOGP
-0.92
MLOGP
-0.79
XLogP3
-0.92
Consensus LogP
-0.88
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us