[email protected]
CAS 1341035-19-5 Cis-Tetrahydro-Pyrrolo[3,4-B]Pyridine-1,4A,6-Tricarboxylic Acid 6-Benzyl Ester 1-Tert-Butyl Ester 4A-Ethyl Ester molecular structure lightbox
CAS RN: 1341035-19-5

Cis-Tetrahydro-Pyrrolo[3,4-B]Pyridine-1,4A,6-Tricarboxylic Acid 6-Benzyl Ester 1-Tert-Butyl Ester 4A-Ethyl Ester

  • Product code: SSC-041378
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1341035-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g -- 1 In Stock Shanghai Inquiry
0.05g >95% 1 In Stock Hong Kong Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry

1341035-19-5 / 6-O-benzyl 1-O-tert-butyl 4a-O-ethyl (4aR,7aS)-2,3,4,5,7,7a-hexahydropyrrolo[3,4-b]pyridine-1,4a,6-tricarboxylate

Standard CAS: 1341035-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1341035-19-5
Multi CAS
No
Molecular Formula
C23H32N2O6
Molecular Weight
432.500000
Exact Mass
432.226037
SMILES
CCOC(=O)[C@@]12CCCN([C@@H]1CN(C2)C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C23H32N2O6/c1-5-29-19(26)23-12-9-13-25(21(28)31-22(2,3)4)18(23)14-24(16-23)20(27)30-15-17-10-7-6-8-11-17/h6-8,10-11,18H,5,9,12-16H2,1-4H3/t18-,23-/m1/s1
InChIKey
XFMGXILBCVSCBO-WZONZLPQSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
113.23
TPSA
85.38

LogP / Solubility

WLOGP
3.59
MLOGP
3.19
XLogP3
2.9
Consensus LogP
3.23
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us