CAS RN: 438246-47-0
(2R)-2-Bromo-1,4-butanediol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250319 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS438246-47-0
- Purity/Analytical Methods: >99.0%
438246-47-0 / (2R)-2-bromobutane-1,4-diol
Basic Information
CAS
438246-47-0
Multi CAS
Yes
Molecular Formula
C4H9BRO2
Molecular Weight
169.020000
Exact Mass
167.978590
InChI
InChI=1S/C4H9BrO2/c5-4(3-7)1-2-6/h4,6-7H,1-3H2/t4-/m1/s1
InChIKey
VRVPUPONZXUMBA-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
31.5
TPSA
40.46
LogP / Solubility
WLOGP
0.12
MLOGP
0.11
Consensus LogP
0.08
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
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)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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