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CAS 1373934-14-5 N,2-Diphenyl[60]fulleropyrrolidine (contains 5% Hexane at maximum) molecular structure lightbox
CAS RN: 1373934-14-5

N,2-Diphenyl[60]fulleropyrrolidine (contains 5% Hexane at maximum)

Product Availability

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 10mg / 25mg / 100mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250709 100mg Out of stock Inquiry
  • Product code: SSC-046932
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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: ＞95%
  • 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 1373934-14-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shanghai Inquiry

1373934-14-5 / N,2-Diphenyl[60]fulleropyrrolidine (contains 5% Hexane at maximum)

Standard CAS: 1373934-14-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1373934-14-5
Multi CAS
No
Molecular Formula
C74H13N
Molecular Weight
915.900000
Exact Mass
915.104799
SMILES
C1C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C8=C8C%10=C%15C%16=C%17C(=C%14%10)C%13=C%10C%13=C%12C%12=C%11C%11=C9C6=C6C%11=C9C%12=C%11C%13=C%12C%10=C%17C%10=C%16C%13=C(C2(C(N1C1=CC=CC=C1)C1=CC=CC=C1)C1=C%13C%15=C8C7=C51)C1=C%10C%12=C2C%11=C9C(=C64)C3=C21
InChI
InChI=1S/C74H13N/c1-3-7-12(8-4-1)72-74-70-64-58-48-36-28-20-16-14-15-18-22(20)30(36)40-34-26(18)27-19(15)23-21-17(14)25-24(16)32-38(28)46-52-42(32)43-33(25)39-29(21)37-31(23)41-35(27)45-44(34)56(50(40)58)66(70)67-57(45)51(41)59-49(37)55-47(39)53(43)61-60(52)68(62(64)54(46)48)73(74,69(61)63(55)65(59)71(67)74)11-75(72)13-9-5-2-6-10-13/h1-10,72H,11H2
InChIKey
NBOZJSRJOSFVAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
75
Aromatic heavy atom count
70
Fraction Csp3
0.05
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
316.84
TPSA
3.24

LogP / Solubility

WLOGP
19.56
MLOGP
17.29
XLogP3
18.9
Consensus LogP
18.58
Log S (ESOL)
-18.4
Class (ESOL)
Insoluble
Log S (Ali)
-21.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.08
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)
5.58

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
10

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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