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CAS 93376-66-0 pamam dendrimer, generation 2 solution molecular structure lightbox
CAS RN: 93376-66-0

pamam dendrimer, generation 2 solution

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Batchno.20250216 200mg Out of stock 8-10 business days Inquiry
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Batchno.20260213 1g In stock Shanghai, Shandong Inquiry
Batchno.20251113 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS93376-66-0
  • Purity/Analytical Methods: >99.0%
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93376-66-0 / N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[3-[[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[2-[bis[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]amino]propanoylamino]ethyl]amino]propanoylamino]ethyl]amino]propanamide

Standard CAS: 93376-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
93376-66-0
Multi CAS
No
Molecular Formula
C142H288N58O28
Molecular Weight
3256.200000
Exact Mass
3255.292866
InChI
InChI=1S/C142H288N58O28/c143-29-45-159-115(201)1-73-187(74-2-116(202)160-46-30-144)101-61-175-131(217)17-89-195(90-18-132(218)176-62-102-188(75-3-117(203)161-47-31-145)76-4-118(204)162-48-32-146)109-69-183-139(225)25-97-199(98-26-140(226)184-70-110-196(91-19-133(219)177-63-103-189(77-5-119(205)163-49-33-147)78-6-120(206)164-50-34-148)92-20-134(220)178-64-104-190(79-7-121(207)165-51-35-149)80-8-122(208)166-52-36-150)113-114-200(99-27-141(227)185-71-111-197(93-21-135(221)179-65-105-191(81-9-123(209)167-53-37-151)82-10-124(210)168-54-38-152)94-22-136(222)180-66-106-192(83-11-125(211)169-55-39-153)84-12-126(212)170-56-40-154)100-28-142(228)186-72-112-198(95-23-137(223)181-67-107-193(85-13-127(213)171-57-41-155)86-14-128(214)172-58-42-156)96-24-138(224)182-68-108-194(87-15-129(215)173-59-43-157)88-16-130(216)174-60-44-158/h1-114,143-158H2,(H,159,201)(H,160,202)(H,161,203)(H,162,204)(H,163,205)(H,164,206)(H,165,207)(H,166,208)(H,167,209)(H,168,210)(H,169,211)(H,170,212)(H,171,213)(H,172,214)(H,173,215)(H,174,216)(H,175,217)(H,176,218)(H,177,219)(H,178,220)(H,179,221)(H,180,222)(H,181,223)(H,182,224)(H,183,225)(H,184,226)(H,185,227)(H,186,228)
InChIKey
QYMWEDAKQRTCGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
228
Fraction Csp3
0.8
Rotatable bonds
155
H-bond acceptors
58
H-bond donors
44
Molar refractivity
868.58
TPSA
1276.48

LogP / Solubility

WLOGP
-25.27
MLOGP
-21.87
XLogP3
-35.3
Consensus LogP
-27.48
Log S (ESOL)
6.12
Class (ESOL)
Highly soluble
Log S (Ali)
-8.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.45
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)
-40.52

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4

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