[email protected]
CAS 35169-97-2 1,2,3,3a,8,8a-hexahydro-3a-hydroxypyrroloindole-2-carboxylic acid molecular structure lightbox
CAS RN: 35169-97-2

1,2,3,3a,8,8a-hexahydro-3a-hydroxypyrroloindole-2-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS35169-97-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

35169-97-2 / 8b-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indole-2-carboxylic acid

Standard CAS: 35169-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
35169-97-2
Multi CAS
No
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
InChI
InChI=1S/C11H12N2O3/c14-9(15)8-5-11(16)6-3-1-2-4-7(6)12-10(11)13-8/h1-4,8,10,12-13,16H,5H2,(H,14,15)
InChIKey
JRCODGSPROVDTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
56.93
TPSA
81.59

LogP / Solubility

WLOGP
0.07
MLOGP
0.07
XLogP3
-2.1
Consensus LogP
-0.65
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us