CAS RN: 137490-63-2
(S)-3-Bromo-1,2-propanediol
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.20260413 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS137490-63-2
- Purity/Analytical Methods: >99.0%
137490-63-2 / (2S)-3-bromopropane-1,2-diol
Basic Information
CAS
137490-63-2
Multi CAS
No
Molecular Formula
C3H7BrO2
Molecular Weight
154.990000
Exact Mass
153.962940
SMILES
C([C@@H](CBr)O)O
InChI
InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
InChIKey
SIBFQOUHOCRXDL-GSVOUGTGSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.89
TPSA
40.46
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.3
Consensus LogP
-0.27
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-3.85
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
Customers Also Viewed
-
Regiolone
- CAS RN: 137494-04-3
- Product Code: starshine_CAS137494-04-3
- Purity/Analytical method: >99.0%
-
-
-
2-Morpholinemethanamine, 4-methyl-, dihydrochloride, (R)-
- CAS RN: 137505-39-6
- Product Code: starshine_CAS137505-39-6
- Purity/Analytical method: >99.0%
-
1-Aziridinecarboxamide,N,N,2-trimethyl-(9CI)
- CAS RN: 137514-20-6
- Product Code: starshine_CAS137514-20-6
- Purity/Analytical method: >99.0%
-
Ethyl 2,6-dichloro-5-methylpyridine-3-carboxylate
- CAS RN: 137520-86-6
- Product Code: SSC-047219
