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CAS 207386-83-2 HIPPURYL-HIS-LEU FREE BASE molecular structure lightbox
CAS RN: 207386-83-2

HIPPURYL-HIS-LEU FREE BASE

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260207 100mg In stock Inquiry
Batchno.20251121 1g In stock Inquiry
Batchno.20260527 25mg In stock Inquiry
Batchno.20250430 25mg / 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250331 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250731 100mg In stock Shanghai Inquiry
Batchno.20250614 1g In stock Shanghai Inquiry
Batchno.20250519 250mg In stock Shanghai Inquiry
Batchno.20250424 50mg In stock Shanghai Inquiry
Batchno.20250110 5g In stock Shanghai Inquiry
  • Product code: SSC-097645
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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
  • 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 207386-83-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry

207386-83-2 / (2S)-2-[[(2S)-2-[(2-benzamidoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoic acid;hydrate

Standard CAS: 207386-83-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207386-83-2
Multi CAS
No
Molecular Formula
C21H29N5O6
Molecular Weight
447.500000
Exact Mass
447.211784
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)C2=CC=CC=C2.O
InChI
InChI=1S/C21H27N5O5.H2O/c1-13(2)8-17(21(30)31)26-20(29)16(9-15-10-22-12-24-15)25-18(27)11-23-19(28)14-6-4-3-5-7-14;/h3-7,10,12-13,16-17H,8-9,11H2,1-2H3,(H,22,24)(H,23,28)(H,25,27)(H,26,29)(H,30,31);1H2/t16-,17-;/m0./s1
InChIKey
NWOJMNXIJBZMPK-QJHJCNPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
11
Fraction Csp3
0.38
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
5
Molar refractivity
115.63
TPSA
184.78

LogP / Solubility

WLOGP
-0.34
MLOGP
-0.27
XLogP3
-0.34
Consensus LogP
-0.32
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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