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CAS 1016985-24-2 Taniaphos SL-T002-1, (1S)-1-(Dicyclohexylphosphino)-2-[(R)-[2-(dicyclohexylphosphino)phenyl](dimethylamino)methyl]ferrocene (acc to CAS) molecular structure lightbox
CAS RN: 1016985-24-2

Taniaphos SL-T002-1, (1S)-1-(Dicyclohexylphosphino)-2-[(R)-[2-(dicyclohexylphosphino)phenyl](dimethylamino)methyl]ferrocene (acc to CAS)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251005 100mg Out of stock Inquiry
  • Product code: SSC-002619
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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: 0.1g
  • Available purity: min. 97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1016985-24-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g min. 97% 0 Out of Stock Shenzhen Inquiry

1016985-24-2 / cyclopenta-1,3-diene;(1S)-1-(2-dicyclohexylphosphanylcyclopenta-1,4-dien-1-yl)-1-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylmethanamine;iron(2+)

(R)-(-)-[(R)-2-DICYCLOHEXYLPHOSPHINOFERROCENYL](N,N-DIMETHYLAMINO)(2-DICYCLOHEXYLPHOSPHINOPHENYL)METHANE

Standard CAS: 1016985-24-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1016985-24-2
Multi CAS
Yes
Molecular Formula
C43H63FeNP2
Molecular Weight
711.800000
Exact Mass
711.378511
SMILES
CN(C)[C@@H](C1=C([CH-]C=C1)P(C2CCCCC2)C3CCCCC3)C4=CC=CC=C4P(C5CCCCC5)C6CCCCC6.[CH-]1C=CC=C1.[Fe+2]
InChI
InChI=1S/C38H58NP2.C5H5.Fe/c1-39(2)38(35-27-17-29-37(35)41(32-22-11-5-12-23-32)33-24-13-6-14-25-33)34-26-15-16-28-36(34)40(30-18-7-3-8-19-30)31-20-9-4-10-21-31;1-2-4-5-3-1;/h15-17,26-33,38H,3-14,18-25H2,1-2H3;1-5H;/q2*-1;+2/t38-;;/m1../s1
InChIKey
ZCLAIXUMNAWCKI-VROLVAQFSA-N
Synonyms
(R)-(-)-[(R)-2-DICYCLOHEXYLPHOSPHINOFERROCENYL](N,N-DIMETHYLAMINO)(2-DICYCLOHEXYLPHOSPHINOPHENYL)METHANE

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
16
Fraction Csp3
0.63
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
206.64
TPSA
3.24

LogP / Solubility

WLOGP
12
MLOGP
10.63
XLogP3
12
Consensus LogP
11.54
Log S (ESOL)
-11.47
Class (ESOL)
Insoluble
Log S (Ali)
-14.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.33
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)
1.46

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
6.5

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