[email protected]
CAS 58698-37-6 2-C-Methyl-D-erythritol molecular structure lightbox
CAS RN: 58698-37-6

2-C-Methyl-D-erythritol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS58698-37-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

58698-37-6 / 2-methylbutane-1,2,3,4-tetrol

Standard CAS: 58698-37-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58698-37-6
Multi CAS
Yes
Molecular Formula
C5H12O4
Molecular Weight
136.150000
Exact Mass
136.073559
InChI
InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m1/s1
InChIKey
HGVJFBSSLICXEM-UHNVWZDZSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
4
Molar refractivity
30.8
TPSA
80.92

LogP / Solubility

WLOGP
-1.92
MLOGP
-1.69
XLogP3
-2.2
Consensus LogP
-1.94
Log S (ESOL)
0.72
Class (ESOL)
Highly soluble
Log S (Ali)
0.71
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.69
Class (SILICOS-IT)
Highly 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)
-4.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us