CAS RN: 528854-26-4
(S)-BINAPINE
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250525 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251230 | 10mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250401 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250107 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250522 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250902 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS528854-26-4
- Purity/Analytical Methods: >99.0%
528854-26-4 / (12R,13S)-13-tert-butyl-12-[(12R,13S)-13-tert-butyl-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-12-yl]-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
Basic Information
CAS
528854-26-4
Multi CAS
Yes
Molecular Formula
C52H48P2
Molecular Weight
734.900000
Exact Mass
734.323126
InChI
InChI=1S/C52H48P2/c1-51(2,3)53-31-37-25-23-33-15-7-11-19-39(33)45(37)47-41-21-13-9-17-35(41)27-29-43(47)49(53)50-44-30-28-36-18-10-14-22-42(36)48(44)46-38(32-54(50)52(4,5)6)26-24-34-16-8-12-20-40(34)46/h7-30,49-50H,31-32H2,1-6H3/t49-,50-,53+,54+/m1/s1
InChIKey
YXMFQIWDFKIXGQ-MEJQTXDZSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
40
Fraction Csp3
0.23
Rotatable bonds
1
Molar refractivity
240.02
TPSA
0.0000
LogP / Solubility
WLOGP
16
MLOGP
14.15
XLogP3
12.1
Consensus LogP
14.08
Log S (ESOL)
-14.96
Class (ESOL)
Insoluble
Log S (Ali)
-17.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.84
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)
4.16
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
9.5
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