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CAS 118971-03-2 (S)-2-(Methoxydiphenylmethyl)pyrrolidine molecular structure lightbox
CAS RN: 118971-03-2

(S)-2-(Methoxydiphenylmethyl)pyrrolidine

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251015 100mg In stock Shanghai Inquiry
Batchno.20250223 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260516 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260531 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250406 5g Out of stock Inquiry
  • Product code: SSC-019183
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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: ≥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 118971-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

118971-03-2 / (2S)-2-[methoxy(diphenyl)methyl]pyrrolidine

(S)-2-(Methoxydiphenylmethyl)pyrrolidine | RefChem:407881 | 634-256-5

Standard CAS: 118971-03-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118971-03-2
Multi CAS
Yes
Molecular Formula
C18H21NO
Molecular Weight
267.400000
Exact Mass
267.162314
SMILES
COC([C@@H]1CCCN1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-20-18(17-13-8-14-19-17,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,19H,8,13-14H2,1H3/t17-/m0/s1
InChIKey
CGUGCZSRPDCLBT-KRWDZBQOSA-N
Synonyms
(S)-2-(Methoxydiphenylmethyl)pyrrolidine RefChem:407881 634-256-5 (2S)-2-(methoxydiphenylmethyl)pyrrolidine MFCD09750440

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
81.7
TPSA
21.26

LogP / Solubility

WLOGP
3.33
MLOGP
2.94
XLogP3
3.2
Consensus LogP
3.16
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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