[email protected]
CAS 164931-83-3 (1R,2R)-(-)-[1,2-CYCLOHEXANEDIAMINO-N N’-BIS(3,5-DI-T-BUTYLSALICYLIDENE)]CHROMIUM (III) CHLORIDE molecular structure lightbox
CAS RN: 164931-83-3

(1R,2R)-(-)-[1,2-CYCLOHEXANEDIAMINO-N N’-BIS(3,5-DI-T-BUTYLSALICYLIDENE)]CHROMIUM (III) CHLORIDE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 100mg In stock Shanghai Inquiry
Batchno.20260425 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250725 1g In stock Shanghai, Chongqing Inquiry
Batchno.20250718 250mg In stock Shanghai Inquiry
Batchno.20260621 250mg In stock Shanghai, Hebei Inquiry
Batchno.20250301 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-072085
GET A QUOTE
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: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 164931-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

164931-83-3 / 2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium

Standard CAS: 164931-83-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
164931-83-3
Multi CAS
No
Molecular Formula
C36H54Cl3CrN2O2
Molecular Weight
705.200000
Exact Mass
703.265592
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.Cl[Cr](Cl)Cl
InChI
InChI=1S/C36H54N2O2.3ClH.Cr/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;;;/h17-22,29-30,39-40H,13-16H2,1-12H3;3*1H;/q;;;;+3/p-3/t29-,30-;;;;/m1..../s1
InChIKey
ABSDVGHEFTVUQG-ZYOJYBKFSA-K

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
189.8
TPSA
65.18

LogP / Solubility

WLOGP
11.2
MLOGP
9.92
XLogP3
11.2
Consensus LogP
10.77
Log S (ESOL)
-11.21
Class (ESOL)
Insoluble
Log S (Ali)
-13.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.93

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (97.5%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Customers Also Viewed

Get In Touch

Contact Us