CAS RN: 102029-92-5
ARG-PHE ACETATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260328 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS102029-92-5
- Purity/Analytical Methods: >99.0%
102029-92-5 / acetic acid;(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid
(S)-2-((S)-2-Amino-5-guanidinopentanamido)-3-phenylpropanoic acid compound with acetic acid (1:2)
Basic Information
CAS
102029-92-5
Multi CAS
Yes
Molecular Formula
C17H27N5O5
Molecular Weight
381.400000
Exact Mass
381.201219
SMILES
CC(=O)O.C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C15H23N5O3.C2H4O2/c16-11(7-4-8-19-15(17)18)13(21)20-12(14(22)23)9-10-5-2-1-3-6-10;1-2(3)4/h1-3,5-6,11-12H,4,7-9,16H2,(H,20,21)(H,22,23)(H4,17,18,19);1H3,(H,3,4)/t11-,12-;/m0./s1
InChIKey
JYCGKDWKVVHIHV-FXMYHANSSA-N
Synonyms
(S)-2-((S)-2-Amino-5-guanidinopentanamido)-3-phenylpropanoic acid compound with acetic acid (1:2)
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.41
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
6
Molar refractivity
100.91
TPSA
194.12
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.62
XLogP3
-0.73
Consensus LogP
-0.69
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-5.56
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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