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CAS 99735-43-0 (1’R, 3R)-1-(1′-PHENYLETHYL)-5-OXO-3-PYRROLIDINE CARBOXYLIC ACID molecular structure lightbox
CAS RN: 99735-43-0

(1’R, 3R)-1-(1′-PHENYLETHYL)-5-OXO-3-PYRROLIDINE CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260104 1g / 5g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-213319
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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: 10g
  • 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 99735-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

99735-43-0 / 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid

Standard CAS: 99735-43-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99735-43-0
Multi CAS
Yes
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
InChI
InChI=1S/C13H15NO3/c1-9(10-5-3-2-4-6-10)14-8-11(13(16)17)7-12(14)15/h2-6,9,11H,7-8H2,1H3,(H,16,17)/t9-,11-/m1/s1
InChIKey
CFGKWSDAMXTRHE-MWLCHTKSSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.31
TPSA
57.61

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
0.9
Consensus LogP
1.35
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately 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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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