[email protected]
CAS 1247119-31-8 (2R,5R)-1,6-Diphenylhexane-2,5-diaMine dihydrochloride molecular structure lightbox
CAS RN: 1247119-31-8

(2R,5R)-1,6-Diphenylhexane-2,5-diaMine dihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260226 1g / 5g / 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-028840
GET A QUOTE
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: 5g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1247119-31-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

1247119-31-8 / (2R,5R)-1,6-diphenylhexane-2,5-diamine;dihydrochloride

Standard CAS: 1247119-31-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1247119-31-8
Multi CAS
No
Molecular Formula
C18H26Cl2N2
Molecular Weight
341.300000
Exact Mass
340.147304
SMILES
C1=CC=C(C=C1)C[C@@H](CC[C@H](CC2=CC=CC=C2)N)N.Cl.Cl
InChI
InChI=1S/C18H24N2.2ClH/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14,19-20H2;2*1H/t17-,18-;;/m1../s1
InChIKey
XTTBTZPGZLVADL-RKDOVGOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
99.97
TPSA
52.04

LogP / Solubility

WLOGP
3.75
MLOGP
3.32
XLogP3
3.75
Consensus LogP
3.61
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us