CAS RN: 1314035-51-2
Hemopressin (human, bovine, porcine)
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.20250121 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1314035-51-2
- Purity/Analytical Methods: >99.0%
1314035-51-2 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Basic Information
CAS
1314035-51-2
Multi CAS
No
Molecular Formula
C50H79N13O12
Molecular Weight
1054.200000
Exact Mass
1053.597115
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3
InChI
InChI=1S/C50H79N13O12/c1-27(2)19-34(44(68)58-35(20-28(3)4)45(69)62-39(25-64)48(72)61-38(50(74)75)22-31-24-53-26-55-31)57-43(67)33(15-10-11-17-51)56-46(70)36(21-30-13-8-7-9-14-30)59-47(71)37(23-40(52)65)60-49(73)41(29(5)6)63-42(66)32-16-12-18-54-32/h7-9,13-14,24,26-29,32-39,41,54,64H,10-12,15-23,25,51H2,1-6H3,(H2,52,65)(H,53,55)(H,56,70)(H,57,67)(H,58,68)(H,59,71)(H,60,73)(H,61,72)(H,62,69)(H,63,66)(H,74,75)/t32-,33-,34-,35-,36-,37-,38-,39-,41-/m0/s1
InChIKey
JEXQOFXDPAGOQL-TZFLQVIRSA-N
Computed Properties
Structural Parameters
Heavy atom count
75
Aromatic heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
33
H-bond acceptors
14
H-bond donors
14
Molar refractivity
274.09
TPSA
400.15
LogP / Solubility
WLOGP
-2.35
MLOGP
-1.96
XLogP3
-2.2
Consensus LogP
-2.17
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.53
Class (SILICOS-IT)
Insoluble
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)
-10.82
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
8.5
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