[email protected]
CAS 1247879-16-8 (S)-2-(6,7-DIHYDRO-5H-THIAZOLO[4,5-F]INDOL-2-YL)-4,5-DIHYDROTHIAZOLE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1247879-16-8

(S)-2-(6,7-DIHYDRO-5H-THIAZOLO[4,5-F]INDOL-2-YL)-4,5-DIHYDROTHIAZOLE-4-CARBOXYLIC ACID

  • Product code: SSC-029016
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: 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1247879-16-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Hong Kong Inquiry

1247879-16-8 / (4S)-2-(6,7-dihydro-5H-pyrrolo[3,2-f][1,3]benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

Standard CAS: 1247879-16-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1247879-16-8
Multi CAS
No
Molecular Formula
C13H11N3O2S2
Molecular Weight
305.400000
Exact Mass
305.029269
SMILES
C1CNC2=CC3=C(C=C21)N=C(S3)C4=N[C@H](CS4)C(=O)O
InChI
InChI=1S/C13H11N3O2S2/c17-13(18)9-5-19-11(16-9)12-15-8-3-6-1-2-14-7(6)4-10(8)20-12/h3-4,9,14H,1-2,5H2,(H,17,18)/t9-/m1/s1
InChIKey
HBZBAMXERPYTFS-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
82.23
TPSA
74.58

LogP / Solubility

WLOGP
2.21
MLOGP
1.96
XLogP3
2.6
Consensus LogP
2.26
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us