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CAS 26982-21-8 poly-l-ornithine hydrochloride molecular structure lightbox
CAS RN: 26982-21-8

poly-l-ornithine hydrochloride

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Batchno.20250806 10mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS26982-21-8
  • Purity/Analytical Methods: >99.0%
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26982-21-8 / (2S)-2,5-diaminopentanoic acid;hydrochloride

Standard CAS: 26982-21-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26982-21-8
Multi CAS
No
Molecular Formula
C5H13ClN2O2
Molecular Weight
168.620000
Exact Mass
168.066555
SMILES
C(C[C@@H](C(=O)O)N)CN.Cl
InChI
InChI=1S/C104H211N41O20.ClH/c1-2-3-64-126-86(147)66(25-5-45-106)128-88(149)68(27-7-47-108)130-90(151)70(29-9-49-110)132-92(153)72(31-11-51-112)134-94(155)74(33-13-53-114)136-96(157)76(35-15-55-116)138-98(159)78(37-17-57-118)140-100(161)80(39-19-59-120)142-102(163)82(41-21-61-122)144-104(165)84(43-23-63-124)145-103(164)83(42-22-62-123)143-101(162)81(40-20-60-121)141-99(160)79(38-18-58-119)139-97(158)77(36-16-56-117)137-95(156)75(34-14-54-115)135-93(154)73(32-12-52-113)133-91(152)71(30-10-50-111)131-89(150)69(28-8-48-109)129-87(148)67(26-6-46-107)127-85(146)65(125)24-4-44-105;/h65-84H,2-64,105-125H2,1H3,(H,126,147)(H,127,146)(H,128,149)(H,129,148)(H,130,151)(H,131,150)(H,132,153)(H,133,152)(H,134,155)(H,135,154)(H,136,157)(H,137,156)(H,138,159)(H,139,158)(H,140,161)(H,141,160)(H,142,163)(H,143,162)(H,144,165)(H,145,164);1H/t65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-;/m0./s1
InChIKey
VPFUTHUABXYFHY-VQQPERLMSA-N

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.15
TPSA
89.34

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-0.44
Consensus LogP
-0.42
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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