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CAS 1203566-77-1 [(3R,4R)-4-Hydroxypyrrolidin-3-yl]carbaMic acid tert-butyl ester molecular structure lightbox
CAS RN: 1203566-77-1

[(3R,4R)-4-Hydroxypyrrolidin-3-yl]carbaMic acid tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260330 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-021221
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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: 0.25g
  • Available purity: ≥95%
  • 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 1203566-77-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1203566-77-1 / tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate

(3R,4R)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester | tert-butyl ((3R,4R)-4-hydroxypyrrolidin-3-yl)carbamate | tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate

Standard CAS: 1203566-77-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1203566-77-1
Multi CAS
Yes
Molecular Formula
C9H18N2O3
Molecular Weight
202.250000
Exact Mass
202.131742
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1O
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6-7,10,12H,4-5H2,1-3H3,(H,11,13)/t6-,7-/m1/s1
InChIKey
QAZVTJCOYJOJGO-RNFRBKRXSA-N
Synonyms
(3R,4R)-(4-Hydroxy-pyrrolidin-3-yl)-carbamic acid tert-butyl ester tert-butyl ((3R,4R)-4-hydroxypyrrolidin-3-yl)carbamate tert-butyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate MFCD22399082 [(3r,4r)-4-hydroxypyrrolidin-3-yl]carbamic acid tert-butyl ester

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
52.03
TPSA
70.59

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.3
Consensus LogP
-0.2
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
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)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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