CAS RN: 105250-85-9

H-TYR-GLY-PHE-GLY-GLY-OH

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  • Product code: starshine_CAS105250-85-9
  • Purity/Analytical Methods: >99.0%
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105250-85-9 / 2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid

Historphin | Osteogenic Growth Peptide (10-14) | Tyrosyl-glycyl-phenylalanyl-glycyl-glycine

Standard CAS: 105250-85-9 Multi CAS: Yes

Basic Information

CAS
105250-85-9
Multi CAS
Yes
Molecular Formula
C24H29N5O7
Molecular Weight
499.500000
Exact Mass
499.206698
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C24H29N5O7/c25-18(10-16-6-8-17(30)9-7-16)23(35)27-13-21(32)29-19(11-15-4-2-1-3-5-15)24(36)28-12-20(31)26-14-22(33)34/h1-9,18-19,30H,10-14,25H2,(H,26,31)(H,27,35)(H,28,36)(H,29,32)(H,33,34)/t18-,19-/m0/s1
InChIKey
BGFPKYKDLYYTJH-OALUTQOASA-N
Synonyms
Historphin Osteogenic Growth Peptide (10-14) Tyrosyl-glycyl-phenylalanyl-glycyl-glycine Tyr-gly-phe-gly-gly ogp(10-14)

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
7
Molar refractivity
128.53
TPSA
199.95

LogP / Solubility

WLOGP
-1.58
MLOGP
-1.35
XLogP3
-3.2
Consensus LogP
-2.04
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-6.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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