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CAS 180915-62-2 (S)-6-METHOXY-2,3-DIHYDRO-1H-INDEN-1-AMINE-HCl molecular structure lightbox
CAS RN: 180915-62-2

(S)-6-METHOXY-2,3-DIHYDRO-1H-INDEN-1-AMINE-HCl

  • Product code: SSC-082198
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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: 0.25g
  • 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 180915-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

180915-62-2 / (1S)-6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride

Standard CAS: 180915-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
180915-62-2
Multi CAS
No
Molecular Formula
C10H14ClNO
Molecular Weight
199.680000
Exact Mass
199.076392
SMILES
COC1=CC2=C(CC[C@@H]2N)C=C1.Cl
InChI
InChI=1S/C10H13NO.ClH/c1-12-8-4-2-7-3-5-10(11)9(7)6-8;/h2,4,6,10H,3,5,11H2,1H3;1H/t10-;/m0./s1
InChIKey
KJDASQBFJKUGFC-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.49
TPSA
35.25

LogP / Solubility

WLOGP
2.06
MLOGP
1.82
XLogP3
2.06
Consensus LogP
1.98
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately 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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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