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CAS 5341-95-7 MESO-2,3-BUTANEDIOL molecular structure lightbox
CAS RN: 5341-95-7

MESO-2,3-BUTANEDIOL

  • Product code: SSC-160751
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5341-95-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

5341-95-7 / butane-2,3-diol

Standard CAS: 5341-95-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5341-95-7
Multi CAS
Yes
Molecular Formula
C4H10O2
Molecular Weight
90.120000
Exact Mass
90.068080
InChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+
InChIKey
OWBTYPJTUOEWEK-ZXZARUISSA-N

Physical Properties

Melting Point
19 °C 25 °C
Boiling Point
BP: 182 °C at 1 atm 182.00 °C. @ 760.00 mm Hg
Density
1.045 at 20 °C/20 °C
Physical Description
Liquid Nearly colorless solid or liquid; Hygroscopic; [HSDB] Semi-solid that melts to clear colorless liquid; mp = 25 deg C; Solid
Appearance
Nearly colorless, crystalline solid or liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
23.36
TPSA
40.46

LogP / Solubility

WLOGP
-0.25
MLOGP
-0.23
XLogP3
-0.9
Consensus LogP
-0.46
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.16
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

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

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