[email protected]
CAS 1369773-39-6 AHU-377 (heMicalciuM salt) molecular structure lightbox
CAS RN: 1369773-39-6

AHU-377 (heMicalciuM salt)

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 100g In stock Shanghai Inquiry
Batchno.20251208 1g In stock Shanghai Inquiry
Batchno.20260215 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260412 25g In stock Shanghai Inquiry
Batchno.20260317 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260402 100mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1369773-39-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1369773-39-6 / calcium bis(4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-4-oxobutanoate)

Standard CAS: 1369773-39-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1369773-39-6
Multi CAS
No
Molecular Formula
C48H56CaN2O10
Molecular Weight
861.000000
Exact Mass
860.356087
SMILES
CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CCC(=O)[O-].[Ca+2]
InChI
InChI=1S/2C24H29NO5.Ca/c2*1-3-30-24(29)17(2)15-21(25-22(26)13-14-23(27)28)16-18-9-11-20(12-10-18)19-7-5-4-6-8-19;/h2*4-12,17,21H,3,13-16H2,1-2H3,(H,25,26)(H,27,28);/q;;+2/p-2/t2*17-,21+;/m11./s1
InChIKey
DDLCKLBRBPYKQS-OXXXZDCLSA-L

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
24
Fraction Csp3
0.38
Rotatable bonds
22
H-bond acceptors
10
H-bond donors
2
Molar refractivity
230.09
TPSA
191.06

LogP / Solubility

WLOGP
4.62
MLOGP
4.14
XLogP3
4.62
Consensus LogP
4.46
Log S (ESOL)
-6.93
Class (ESOL)
Insoluble
Log S (Ali)
-9.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us