[email protected]
CAS 159190-44-0 RYCMAAFECCXGHI-ILKKLZGPSA-N molecular structure lightbox
CAS RN: 159190-44-0

RYCMAAFECCXGHI-ILKKLZGPSA-N

  • Product code: SSC-067213
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: 1g
  • Available purity: ≥95%
  • 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 159190-44-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

159190-44-0 / (2S)-2-amino-5-(1-aminoethylideneamino)pentanoic acid;dihydrochloride

Standard CAS: 159190-44-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159190-44-0
Multi CAS
No
Molecular Formula
C7H17Cl2N3O2
Molecular Weight
246.130000
Exact Mass
245.069782
SMILES
CC(=NCCC[C@@H](C(=O)O)N)N.Cl.Cl
InChI
InChI=1S/C7H15N3O2.2ClH/c1-5(8)10-4-2-3-6(9)7(11)12;;/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12);2*1H/t6-;;/m0../s1
InChIKey
RYCMAAFECCXGHI-ILKKLZGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
61.5
TPSA
101.7

LogP / Solubility

WLOGP
0.4
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us