CAS RN: 412938-75-1
H-SER-PHE-ARG-ASN-GLY-VAL-GLY-SER-GLY-VAL-LYS-LYS-THR-SER-PHE-ARG-ARG-ALA-LYS-GLN-OH
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.20250714 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS412938-75-1
- Purity/Analytical Methods: >99.0%
412938-75-1 / (2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
Basic Information
CAS
412938-75-1
Multi CAS
Yes
Molecular Formula
C95H160N34O27
Molecular Weight
2210.500000
Exact Mass
2210.222571
InChI
InChI=1S/C95H160N34O27/c1-49(2)73(127-71(137)44-111-78(141)65(42-69(101)135)125-84(147)61(31-21-39-110-95(106)107)120-86(149)63(123-77(140)55(99)46-130)40-53-22-9-7-10-23-53)89(152)113-43-70(136)115-66(47-131)79(142)112-45-72(138)128-74(50(3)4)90(153)121-57(27-14-17-35-97)81(144)117-58(28-15-18-36-98)85(148)129-75(52(6)133)91(154)126-67(48-132)88(151)124-64(41-54-24-11-8-12-25-54)87(150)119-60(30-20-38-109-94(104)105)82(145)118-59(29-19-37-108-93(102)103)80(143)114-51(5)76(139)116-56(26-13-16-34-96)83(146)122-62(92(155)156)32-33-68(100)134/h7-12,22-25,49-52,55-67,73-75,130-133H,13-21,26-48,96-99H2,1-6H3,(H2,100,134)(H2,101,135)(H,111,141)(H,112,142)(H,113,152)(H,114,143)(H,115,136)(H,116,139)(H,117,144)(H,118,145)(H,119,150)(H,120,149)(H,121,153)(H,122,146)(H,123,140)(H,124,151)(H,125,147)(H,126,154)(H,127,137)(H,128,138)(H,129,148)(H,155,156)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,73-,74-,75-/m0/s1
InChIKey
RLPBYGCOBLSFSK-HDNLQJMQSA-N
Computed Properties
Structural Parameters
Heavy atom count
156
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
78
H-bond acceptors
33
H-bond donors
39
Molar refractivity
562.52
TPSA
1047.08
LogP / Solubility
WLOGP
-15
MLOGP
-12.96
XLogP3
-13.5
Consensus LogP
-13.82
Log S (ESOL)
1
Class (ESOL)
Highly soluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.94
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)
-26.86
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
10
Customers Also Viewed
-
-
-
3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide
- CAS RN: 412960-54-4
- Product Code: SSC-149764
-
-
BAM (8-22)
- CAS RN: 412961-36-5
- Product Code: starshine_CAS412961-36-5
- Purity/Analytical method: >99.0%
-
8-methylquinoline-2,4-dicarboxylic acid
- CAS RN: 413573-97-4
- Product Code: starshine_CAS413573-97-4
- Purity/Analytical method: >99.0%
![CAS 412960-54-4 3-(4-Chlorophenyl)-4-[[[(4-chlorophenyl)amino]carbonyl]hydroxyamino]-5,5-dimethyl-2-oxo-1-imidazolidineaceticacid2-[3-(5-nitro-2-furanyl)-2-propen-1-ylidene]hydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/412960-54-4.gif)
