![CAS 1025796-32-0 (S,S)-2-[3-(5-amino-1-carboxy-pentyl)-ureido]-pentanedioic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1025796-32-0.gif)
CAS RN: 1025796-32-0
(S,S)-2-[3-(5-amino-1-carboxy-pentyl)-ureido]-pentanedioic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-003855
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1025796-32-0 / (2S)-2-[[(1S)-5-amino-1-carboxypentyl]carbamoylamino]pentanedioic acid
DTXSID901169363 | N-[[[(1S)-5-Amino-1-carboxypentyl]amino]carbonyl]-L-glutamic acid | N-((((1S)-5-Amino-1-carboxypentyl)amino)carbonyl)-L-glutamic acid
Basic Information
CAS
1025796-32-0
Multi CAS
No
Molecular Formula
C12H21N3O7
Molecular Weight
319.310000
Exact Mass
319.137950
SMILES
C(CCN)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C12H21N3O7/c13-6-2-1-3-7(10(18)19)14-12(22)15-8(11(20)21)4-5-9(16)17/h7-8H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)(H2,14,15,22)/t7-,8-/m0/s1
InChIKey
ZZASEPMMGWJWOV-YUMQZZPRSA-N
Synonyms
DTXSID901169363
N-[[[(1S)-5-Amino-1-carboxypentyl]amino]carbonyl]-L-glutamic acid
N-((((1S)-5-Amino-1-carboxypentyl)amino)carbonyl)-L-glutamic acid
RefChem:1090613
DTXCID601600780
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.67
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
6
Molar refractivity
74.29
TPSA
179.05
LogP / Solubility
WLOGP
-0.81
MLOGP
-0.7
XLogP3
-3.7
Consensus LogP
-1.74
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
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)
-5.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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