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CAS 1017027-77-8 2-Cyclopropylbenzo[d]oxazol-5-aMine molecular structure lightbox
CAS RN: 1017027-77-8

2-Cyclopropylbenzo[d]oxazol-5-aMine

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250305 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260328 100mg In stock Shanghai Inquiry
Batchno.20260330 1g In stock Shanghai Inquiry
Batchno.20251017 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1017027-77-8
  • Purity/Analytical Methods: >99.0%
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1017027-77-8 / 2-cyclopropyl-1,3-benzoxazol-5-amine

2-Cyclopropylbenzo[d]oxazol-5-amine | 2-cyclopropyl-1,3-benzoxazol-5-amine | 5-Benzoxazolamine, 2-cyclopropyl-

Standard CAS: 1017027-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1017027-77-8
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
SMILES
C1CC1C2=NC3=C(O2)C=CC(=C3)N
InChI
InChI=1S/C10H10N2O/c11-7-3-4-9-8(5-7)12-10(13-9)6-1-2-6/h3-6H,1-2,11H2
InChIKey
YDSNEXZZBXFWCT-UHFFFAOYSA-N
Synonyms
2-Cyclopropylbenzo[d]oxazol-5-amine 2-cyclopropyl-1,3-benzoxazol-5-amine 5-Benzoxazolamine, 2-cyclopropyl- SQB02777 MFCD09947485

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.4
TPSA
52.05

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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