CAS RN: 114676-59-4
D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250227 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: SSC-014377
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: 100g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
114676-59-4 / methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride | D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)- | RefChem:812087
Basic Information
CAS
114676-59-4
Multi CAS
Yes
Molecular Formula
C6H12ClNO3
Molecular Weight
181.620000
Exact Mass
181.050571
SMILES
COC(=O)[C@H]1C[C@H](CN1)O.Cl
InChI
InChI=1S/C6H11NO3.ClH/c1-10-6(9)5-2-4(8)3-7-5;/h4-5,7-8H,2-3H2,1H3;1H/t4-,5-;/m1./s1
InChIKey
KLGSHNXEUZOKHH-TYSVMGFPSA-N
Synonyms
Methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate hydrochloride
D-Proline, 4-hydroxy-, methyl ester, hydrochloride (1:1), (4R)-
RefChem:812087
691-825-0
(2R,4R)-METHYL 4-HYDROXYPYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDE
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.68
TPSA
58.56
LogP / Solubility
WLOGP
-0.7
MLOGP
-0.61
XLogP3
-0.7
Consensus LogP
-0.67
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very 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)
-4.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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