![CAS 609771-63-3 [6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m2550-jpgcontextbwfzdgvyfhjvb3r8ntawntv8aw1hz2uvanblz3xon2yvadm0lzg5mze1odk5ndc0mjivtti1ntauanbnfgm1ogq5mda5mza0nzuyodiynjuxogjlztvmyjq3nmezy2i1ztezyzu2n2qyzjrjngu4mtaznznmotbizwq1yzu.jpeg)
CAS RN: 609771-63-3
[6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers)
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 25mg / 100mg / 500mg | Confirm by inquiry | Shanghai, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250702 | 1g | Out of stock | Inquiry | |
| Batchno.20250613 | 250mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250422 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260213 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-169659
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
609771-63-3 / [6,6]-Phenyl-C71-butyric Acid Methyl Ester (mixture of isomers)
Basic Information
CAS
609771-63-3
Multi CAS
Yes
Molecular Formula
C82H14O2
Molecular Weight
1031.000000
Exact Mass
1030.099380
InChI
InChI=1S/C82H14O2/c1-84-11(83)8-5-9-80(10-6-3-2-4-7-10)81-76-68-60-50-40-33-24-18-12-13-15-17-16-14(12)20-27-22(16)31-32-23(17)28-21(15)30-26(19(13)24)35-41(33)51(50)61-55-45(35)37(30)47-39(28)49-43(32)53-52-42(31)48-38(27)46-36-29(20)25(18)34(40)44(36)54(60)64-58(46)66-56(48)62(52)70-71-63(53)57(49)67-59(47)65(55)73(77(81)69(61)68)75(67)79(71)82(80,81)78(70)74(66)72(64)76/h2-4,6-7H,5,8-9H2,1H3
InChIKey
AZSFNTBGCTUQFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
84
Aromatic heavy atom count
74
Fraction Csp3
0.09
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
351.32
TPSA
26.3
LogP / Solubility
WLOGP
21.54
MLOGP
19.06
XLogP3
21.4
Consensus LogP
20.67
Log S (ESOL)
-20.13
Class (ESOL)
Insoluble
Log S (Ali)
-23.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.84
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)
6.29
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
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![CAS 160848-22-6 [6,6]-Phenyl-C61-butyric Acid Methyl Ester [for organic electronics] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/p2682-jpgcontextbwfzdgvyfhjvb3r8ndk5mjv8aw1hz2uvanblz3xontkvadq1lzg5mzixndq3mdk2njivudi2odiuanbnfdu1nwuxmtkwnzixy2jkywiymjmwmmnmngrjngy2mzy5ytk3ogrmnmqyymi1ngy1mwzimtu0mwrintfmnjqzyzi.jpeg)
