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CAS 105249-35-2 cis-cyclohex-4-ene-1,2-diamine dihydrochloride molecular structure lightbox
CAS RN: 105249-35-2

cis-cyclohex-4-ene-1,2-diamine dihydrochloride

  • Product code: SSC-006955
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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: 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 105249-35-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

105249-35-2 / (1S,2R)-cyclohex-4-ene-1,2-diamine;dihydrochloride

cis-Cyclohex-4-ene-1,2-diamine dihydrochloride | MFCD30471406 | (1R,2S)-cyclohex-4-ene-1,2-diamine;dihydrochloride

Standard CAS: 105249-35-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105249-35-2
Multi CAS
Yes
Molecular Formula
C6H14Cl2N2
Molecular Weight
185.090000
Exact Mass
184.053404
SMILES
C1C=CC[C@@H]([C@@H]1N)N.Cl.Cl
InChI
InChI=1S/C6H12N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-2,5-6H,3-4,7-8H2;2*1H/t5-,6+;;
InChIKey
UQRRHSHMGMLJDM-RUTFAPCESA-N
Synonyms
cis-Cyclohex-4-ene-1,2-diamine dihydrochloride MFCD30471406 (1R,2S)-cyclohex-4-ene-1,2-diamine;dihydrochloride (1S,2R)-cyclohex-4-ene-1,2-diamine;dihydrochloride SCHEMBL9438739

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.82
TPSA
52.04

LogP / Solubility

WLOGP
0.83
MLOGP
0.73
XLogP3
0.83
Consensus LogP
0.8
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
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)
-3.26

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
2.5

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