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CAS 1003886-09-6 Oxazole, 2,2′-(1,3-dihydro-2H-inden-2-ylidene)bis[4,5-dihydro-4-(phenylmethyl)-, (4S,4’S)- molecular structure lightbox
CAS RN: 1003886-09-6

Oxazole, 2,2′-(1,3-dihydro-2H-inden-2-ylidene)bis[4,5-dihydro-4-(phenylmethyl)-, (4S,4’S)-

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260222 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250529 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1003886-09-6
  • Purity/Analytical Methods: >99.0%
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1003886-09-6 / (4S)-4-benzyl-2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-dihydroinden-2-yl]-4,5-dihydro-1,3-oxazole

(4S,4'S)-2,2'-(2,3-Dihydro-1H-indene-2,2-diyl)bis(4-benzyl-4,5-dihydrooxazole) | C29H28N2O2 | (4S,4'S)-2,2'-(1,3-Dihydro-2H-inden-2-ylidene)bis[4,5-dihydro-4-(phenylmethyl)oxazole]

Standard CAS: 1003886-09-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1003886-09-6
Multi CAS
Yes
Molecular Formula
C29H28N2O2
Molecular Weight
436.500000
Exact Mass
436.215078
SMILES
C1[C@@H](N=C(O1)C2(CC3=CC=CC=C3C2)C4=N[C@H](CO4)CC5=CC=CC=C5)CC6=CC=CC=C6
InChI
InChI=1S/C29H28N2O2/c1-3-9-21(10-4-1)15-25-19-32-27(30-25)29(17-23-13-7-8-14-24(23)18-29)28-31-26(20-33-28)16-22-11-5-2-6-12-22/h1-14,25-26H,15-20H2/t25-,26-/m0/s1
InChIKey
UMTCVPCXPUJJIQ-UIOOFZCWSA-N
Synonyms
(4S,4'S)-2,2'-(2,3-Dihydro-1H-indene-2,2-diyl)bis(4-benzyl-4,5-dihydrooxazole) C29H28N2O2 (4S,4'S)-2,2'-(1,3-Dihydro-2H-inden-2-ylidene)bis[4,5-dihydro-4-(phenylmethyl)oxazole] BS-48892 F74632

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
130.92
TPSA
43.18

LogP / Solubility

WLOGP
4.85
MLOGP
4.3
XLogP3
5.3
Consensus LogP
4.82
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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