![CAS 942230-11-7 11-[4-(4-Butylphenylazo)phenoxy]undecyl Methacrylate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1463-jpgcontextbwfzdgvyfhjvb3r8mzk2ndb8aw1hz2uvanblz3xoztcvadfmlzg5mze0mzg2mjq3otgvtte0njmuanbnfdflnmy5zjfmzjfmndjhyty1mjbinjbimtjkogrindi1zjc1mtjmngy1mdm1otbhzgu0nme4ywe3odzmodi2zte.jpeg)
CAS RN: 942230-11-7
11-[4-(4-Butylphenylazo)phenoxy]undecyl Methacrylate
- Product code: SSC-208850
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
942230-11-7 / 11-[4-[(4-butylphenyl)diazenyl]phenoxy]undecyl 2-methylprop-2-enoate
Basic Information
CAS
942230-11-7
Multi CAS
No
Molecular Formula
C31H44N2O3
Molecular Weight
492.700000
Exact Mass
492.335193
InChI
InChI=1S/C31H44N2O3/c1-4-5-15-27-16-18-28(19-17-27)32-33-29-20-22-30(23-21-29)35-24-13-11-9-7-6-8-10-12-14-25-36-31(34)26(2)3/h16-23H,2,4-15,24-25H2,1,3H3
InChIKey
YKWVMKBZDQOJNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
19
H-bond acceptors
5
Molar refractivity
148.49
TPSA
60.25
LogP / Solubility
WLOGP
9.45
MLOGP
8.35
XLogP3
10.5
Consensus LogP
9.43
Log S (ESOL)
-7.84
Class (ESOL)
Insoluble
Log S (Ali)
-10.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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