CAS RN: 135113-15-4
FULLERENE C76
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260521 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS135113-15-4
- Purity/Analytical Methods: >99.0%
135113-15-4 / nonatriacontacyclo[17.7.7.713,27.729,30.617,33.13,12.14,7.19,20.05,26.06,23.08,21.010,14.022,32.024,31.025,28.715,37.735,48.650,52.02,49.011,56.016,54.018,36.034,40.038,73.039,76.041,69.042,46.043,67.044,64.045,47.051,55.053,75.057,62.058,74.059,72.060,65.061,63.066,71.068,70]hexaheptaconta-1,3,5(26),6,8,10(14),11(56),12,15(76),16(54),17,19,21,23,25(28),27(47),29,31,33,35,37(70),38,40,42,44(64),45,48(63),49,51(55),52(57),53(75),58,60(65),61,66,68,71,73-octatriacontaene
Basic Information
CAS
135113-15-4
Multi CAS
No
Molecular Formula
C76
Molecular Weight
912.800000
Exact Mass
912.000000
SMILES
C12=C3C4=C5C6=C1C7=C8C2=C9C1=C2C%10=C%11C(=C13)C1=C4C3=C4C%12=C%13C3=C5C3=C6C5=C7C6=C7C5=C5C3=C%13C3=C%13C%12=C%12C%14=C%15C%16=C%17C%18=C%19C%20=C%16C(=C%13%14)C(=C35)C7=C%20C3=C%19C5=C7C%18=C%13C%17=C%14C%15=C%15C%12=C4C1=C%11C%15=C%14C%10=C%13C2=C7C9=C5C8=C63
InChI
InChI=1S/C76/c1-5-17-37-25-9(1)33-30-14-2-6-18-39-26-10(2)34-29(13(1)14)41-21(5)49-45(17)46-19-7-3-11-27-38(19)62(49)74-56(27)72-60-36(11)32-16-4-8-20-40-28-12(4)35-31(15(3)16)43-23(7)50(46)61(37)73-53(25)69-57(33)66-42(30)22(6)51(63(40)75(66)55(28)71(69)59(35)67(43)73)47(18)48(20)52-24(8)44(32)68(60)76(64(39)52)54(26)70(72)58(34)65(41)74
InChIKey
DEJYFPHYOINFQD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
76
Aromatic heavy atom count
76
Molar refractivity
330.3
TPSA
0.0000
LogP / Solubility
WLOGP
22.46
MLOGP
19.85
XLogP3
21.8
Consensus LogP
21.37
Log S (ESOL)
-20.39
Class (ESOL)
Insoluble
Log S (Ali)
-23.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.23
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
7.66
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
Customers Also Viewed
-
FULLERENE-C84
- CAS RN: 135113-16-5
- Product Code: starshine_CAS135113-16-5
- Purity/Analytical method: >99.0%
-
-
-
-
(2,2-difluorobenzo[d][1,3]dioxol-5-yl)methanamine
- CAS RN: 135132-35-3
- Product Code: SSC-043063
-
![CAS 135132-35-3 (2,2-difluorobenzo[d][1,3]dioxol-5-yl)methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/135132-35-3.gif)
