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CAS 1660110-81-5 Cyclopent[b]-1,4-oxazine, octahydro-, hydrochloride (1:1), (4aR,7aR)- molecular structure lightbox
CAS RN: 1660110-81-5

Cyclopent[b]-1,4-oxazine, octahydro-, hydrochloride (1:1), (4aR,7aR)-

  • Product code: SSC-072489
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1660110-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Beijing Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1660110-81-5 / (4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride

Standard CAS: 1660110-81-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1660110-81-5
Multi CAS
No
Molecular Formula
C7H14ClNO
Molecular Weight
163.640000
Exact Mass
163.076392
SMILES
C1C[C@@H]2[C@@H](C1)OCCN2.Cl
InChI
InChI=1S/C7H13NO.ClH/c1-2-6-7(3-1)9-5-4-8-6;/h6-8H,1-5H2;1H/t6-,7-;/m1./s1
InChIKey
JWEHBYVWAVHAEP-ZJLYAJKPSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.63
TPSA
21.26

LogP / Solubility

WLOGP
0.95
MLOGP
0.83
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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