[email protected]
CAS 1227512-69-7 2,2′-Bi-8H-indeno[1,2-d]oxazole, 3a,3’a,8a,8’a-tetrahydro-, (3aS,3’aS,8aR,8’aR)- molecular structure lightbox
CAS RN: 1227512-69-7

2,2′-Bi-8H-indeno[1,2-d]oxazole, 3a,3’a,8a,8’a-tetrahydro-, (3aS,3’aS,8aR,8’aR)-

  • Product code: SSC-025976
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1227512-69-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

1227512-69-7 / (3aR,8bS)-2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

Standard CAS: 1227512-69-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1227512-69-7
Multi CAS
No
Molecular Formula
C20H16N2O2
Molecular Weight
316.400000
Exact Mass
316.121178
SMILES
C1[C@@H]2[C@H](C3=CC=CC=C31)N=C(O2)C4=N[C@@H]5[C@H](O4)CC6=CC=CC=C56
InChI
InChI=1S/C20H16N2O2/c1-3-7-13-11(5-1)9-15-17(13)21-19(23-15)20-22-18-14-8-4-2-6-12(14)10-16(18)24-20/h1-8,15-18H,9-10H2/t15-,16-,17+,18+/m1/s1
InChIKey
SBYJTMJEUZSVQN-BDXSIMOUSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
90.39
TPSA
43.18

LogP / Solubility

WLOGP
3.18
MLOGP
2.81
XLogP3
3.4
Consensus LogP
3.13
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us