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CAS 77313-10-1 DiMethyl 3-aMinopentanedioate hydrochloride molecular structure lightbox
CAS RN: 77313-10-1

DiMethyl 3-aMinopentanedioate hydrochloride

  • Product code: SSC-186820
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 77313-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Shanghai Inquiry
0.25g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

77313-10-1 / dimethyl 3-aminopentanedioate;hydrochloride

Standard CAS: 77313-10-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77313-10-1
Multi CAS
No
Molecular Formula
C7H14CLNO4
Molecular Weight
211.640000
Exact Mass
211.061136
InChI
InChI=1S/C7H13NO4.ClH/c1-11-6(9)3-5(8)4-7(10)12-2;/h5H,3-4,8H2,1-2H3;1H
InChIKey
QVEQNKJSDDMXOO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
48.49
TPSA
78.62

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
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)
-4.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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