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CAS 1312713-89-5 (S)-RUCY®-XylBINAP molecular structure lightbox
CAS RN: 1312713-89-5

(S)-RUCY®-XylBINAP

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260601 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20251230 1g In stock Shanghai Inquiry
Batchno.20250915 250mg In stock Shanghai, Wuhan Inquiry
  • Product code: SSC-038029
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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: 0.25g
  • Available purity: ＞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 1312713-89-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1312713-89-5 / [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;chlororuthenium(1+);(2S)-1-(4-methoxybenzene-6-id-1-yl)-1-(4-methoxyphenyl)-3-methylbutane-1,2-diamine

Standard CAS: 1312713-89-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1312713-89-5
Multi CAS
No
Molecular Formula
C71H73ClN2O2P2Ru
Molecular Weight
1184.800000
Exact Mass
1184.387922
SMILES
CC1=CC(=CC(=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)P(C6=CC(=CC(=C6)C)C)C7=CC(=CC(=C7)C)C)C8=CC(=CC(=C8)C)C)C.CC(C)[C@@H](C(C1=CC=C(C=C1)OC)(C2=[C-]C=C(C=C2)OC)N)N.Cl[Ru+]
InChI
InChI=1S/C52H48P2.C19H25N2O2.ClH.Ru/c1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15;;/h9-32H,1-8H3;5-7,9-13,18H,20-21H2,1-4H3;1H;/q;-1;;+2/p-1/t;18-,19?;;/m.0../s1
InChIKey
IQWRCNFONDXTCS-UCPQXOCLSA-M

Computed Properties

Structural Parameters

Heavy atom count
79
Aromatic heavy atom count
56
Fraction Csp3
0.21
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
2
Molar refractivity
340.66
TPSA
70.5

LogP / Solubility

WLOGP
15.02
MLOGP
13.34
XLogP3
15.02
Consensus LogP
14.46
Log S (ESOL)
-16.32
Class (ESOL)
Insoluble
Log S (Ali)
-20.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.39
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)
0.72

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H340 (50%): May cause genetic defects [Danger Germ cell mutagenicity] H360 (50%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P308+P316, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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