CAS RN: 92742-29-5
D-Histidine, Methyl ester, Monohydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250713 | 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS92742-29-5
- Purity/Analytical Methods: >99.0%
92742-29-5 / methyl 2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
Basic Information
CAS
92742-29-5
Multi CAS
Yes
Molecular Formula
C7H12CLN3O2
Molecular Weight
205.640000
Exact Mass
205.061804
InChI
InChI=1S/C7H11N3O2.ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;/h3-4,6H,2,8H2,1H3,(H,9,10);1H/t6-;/m1./s1
InChIKey
VEEIFXWJNCAVEQ-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
49.53
TPSA
81
LogP / Solubility
WLOGP
-0.13
MLOGP
-0.11
XLogP3
-0.13
Consensus LogP
-0.12
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.16
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-4.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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