CAS RN: 1334237-71-6
Etelcalcetide HCl
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251221 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260114 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260428 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260217 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250213 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260217 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251023 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1334237-71-6
- Purity/Analytical Methods: >99.0%
1334237-71-6 / (2R)-3-[[(2S)-2-acetamido-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]disulfanyl]-2-aminopropanoic acid;hydrochloride
Basic Information
CAS
1334237-71-6
Multi CAS
No
Molecular Formula
C38H74ClN21O10S2
Molecular Weight
1084.700000
Exact Mass
1083.505748
SMILES
C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C.Cl
InChI
InChI=1S/C38H73N21O10S2.ClH/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69;/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52);1H/t18-,19-,21+,22-,23-,24-,25-,26-;/m1./s1
InChIKey
KHQMSZGKHGQUHG-WZDHWKSBSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Fraction Csp3
0.66
Rotatable bonds
36
H-bond acceptors
16
H-bond donors
18
Molar refractivity
277.15
TPSA
567.71
LogP / Solubility
WLOGP
-7.65
MLOGP
-6.62
XLogP3
-7.65
Consensus LogP
-7.31
Log S (ESOL)
0.63
Class (ESOL)
Highly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly 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)
-14.77
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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