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CAS 1099646-61-3 (S)-METHYL PYRROLIDINE-3-CARBOXYLATE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1099646-61-3

(S)-METHYL PYRROLIDINE-3-CARBOXYLATE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 50mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-011214
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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, 1g, 5g, 10g
  • Available purity: >98%
  • 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 1099646-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 0 Out of Stock Beijing Inquiry
1g >98% 0 Out of Stock Beijing Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry
10g >98% 0 Out of Stock Hong Kong Inquiry

1099646-61-3 / methyl (3S)-pyrrolidine-3-carboxylate;hydrochloride

methyl pyrrolidine-3-carboxylate hydrochloride | RefChem:818067 | 676-272-5

Standard CAS: 1099646-61-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1099646-61-3
Multi CAS
Yes
Molecular Formula
C6H12ClNO2
Molecular Weight
165.620000
Exact Mass
165.055656
SMILES
COC(=O)[C@H]1CCNC1.Cl
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1
InChIKey
VVBSXSVVMNGQIN-JEDNCBNOSA-N
Synonyms
methyl pyrrolidine-3-carboxylate hydrochloride RefChem:818067 676-272-5 Methyl 3-pyrrolidinecarboxylate hydrochloride Methyl 3-pyrrolidinecarboxylate HCl

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.24
TPSA
38.33

LogP / Solubility

WLOGP
0.19
MLOGP
0.16
XLogP3
0.19
Consensus LogP
0.18
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
Class (SILICOS-IT)
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)
-3.59

Drug-likeness / Medicinal Chemistry

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

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