[email protected]
CAS 62527-37-1 (E)-Methyl 7-((1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)hept-2-enoate molecular structure lightbox
CAS RN: 62527-37-1

(E)-Methyl 7-((1R,2S,3R,5S)-5-acetoxy-2-(hydroxymethyl)-3-((tetrahydro-2H-pyran-2-yl)oxy)cyclopentyl)hept-2-enoate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS62527-37-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

62527-37-1 / methyl (E)-7-[(1R,2S,3R,5S)-5-acetyloxy-2-(hydroxymethyl)-3-(oxan-2-yloxy)cyclopentyl]hept-2-enoate

Standard CAS: 62527-37-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62527-37-1
Multi CAS
No
Molecular Formula
C21H34O7
Molecular Weight
398.500000
Exact Mass
398.230453
InChI
InChI=1S/C21H34O7/c1-15(23)27-18-13-19(28-21-11-7-8-12-26-21)17(14-22)16(18)9-5-3-4-6-10-20(24)25-2/h6,10,16-19,21-22H,3-5,7-9,11-14H2,1-2H3/b10-6+/t16-,17-,18+,19-,21?/m1/s1
InChIKey
QALDIULZCIWARJ-SXWFZLMSSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.81
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
1
Molar refractivity
102.32
TPSA
91.29

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
3
Consensus LogP
2.73
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.73
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)
-3.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
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