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CAS 1187927-12-3 (R)-tert-butyl 3-(chloroMethyl)pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1187927-12-3

(R)-tert-butyl 3-(chloroMethyl)pyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-018776
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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: 1g
  • Available purity: ＞97%
  • 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 1187927-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1187927-12-3 / tert-butyl (3R)-3-(chloromethyl)pyrrolidine-1-carboxylate

tert-butyl 3-(chloromethyl)pyrrolidine-1-carboxylate | 1-Boc-3-Chloromethylpyrrolidine | 3-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Standard CAS: 1187927-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1187927-12-3
Multi CAS
Yes
Molecular Formula
C10H18ClNO2
Molecular Weight
219.710000
Exact Mass
219.102607
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)CCl
InChI
InChI=1S/C10H18ClNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
ZCOBWMKNMWVILV-QMMMGPOBSA-N
Synonyms
tert-butyl 3-(chloromethyl)pyrrolidine-1-carboxylate 1-Boc-3-Chloromethylpyrrolidine 3-CHLOROMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER MFCD08059338 1-Boc-3-(chloromethyl)pyrrolidine

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.63
TPSA
29.54

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.1
Consensus LogP
2.26
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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