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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
127221-89-0 / [(2S)-1-aminopyrrolidin-2-yl]methanol
Basic Information
CAS
127221-89-0
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
SMILES
C1C[C@H](N(C1)N)CO
InChI
InChI=1S/C5H12N2O/c6-7-3-1-2-5(7)4-8/h5,8H,1-4,6H2/t5-/m0/s1
InChIKey
OQSFVLZVNOBDDJ-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31
TPSA
49.49
LogP / Solubility
WLOGP
-0.68
MLOGP
-0.61
XLogP3
-0.1
Consensus LogP
-0.46
Log S (ESOL)
-0.06
Class (ESOL)
Very soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.91
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
-
(E)-4-(diMethylaMino)-1,1,1-trifluorobut-3-en-2-one
- CAS RN: 127223-93-2
- Product Code: SSC-034708
-
-
-
5-(BROMOMETHYL)OXAZOLE
- CAS RN: 127232-42-2
- Product Code: starshine_CAS127232-42-2
- Purity/Analytical method: >99.0%
-
N-(2-[P-BROMOCINNAMYLAMINO]ETHYL)-5-ISOQUINOLINESULFONAMIDE HYDROCHLORIDE
- CAS RN: 127243-85-0
- Product Code: starshine_CAS127243-85-0
- Purity/Analytical method: >99.0%
-
3-AMINO-BENZALDEHYDE HCL
- CAS RN: 127248-99-1
- Product Code: starshine_CAS127248-99-1
- Purity/Analytical method: >99.0%
![CAS 127243-85-0 N-(2-[P-BROMOCINNAMYLAMINO]ETHYL)-5-ISOQUINOLINESULFONAMIDE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/127243-85-0.gif)
