[email protected]
CAS 1268524-70-4 (S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate molecular structure lightbox
CAS RN: 1268524-70-4

(S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-triMethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250719 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250924 10mg In stock Shanghai Inquiry
Batchno.20251213 10mg / 25mg / 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260316 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260107 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250530 25mg In stock Shanghai Inquiry
Batchno.20260604 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20260316 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-034123
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, 1g, 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 8
  • 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 1268524-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 5 In Stock Shenzhen Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Shanghai Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Shanghai Inquiry

1268524-70-4 / tert-butyl 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetate

Standard CAS: 1268524-70-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268524-70-4
Multi CAS
No
Molecular Formula
C23H25ClN4O2S
Molecular Weight
457.000000
Exact Mass
456.138675
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
InChIKey
DNVXATUJJDPFDM-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.39
Rotatable bonds
3
H-bond acceptors
7
Molar refractivity
123.74
TPSA
69.37

LogP / Solubility

WLOGP
5.53
MLOGP
4.9
XLogP3
4.9
Consensus LogP
5.11
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.58

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us