[email protected]
CAS 794466-43-6 PBP10 molecular structure lightbox
CAS RN: 794466-43-6

PBP10

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250212 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS794466-43-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

794466-43-6 / (2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[3,6-bis(diethylamino)xanthen-10-ium-9-yl]benzoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid

Standard CAS: 794466-43-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
794466-43-6
Multi CAS
Yes
Molecular Formula
C84H127N24O15
Molecular Weight
1713.100000
Exact Mass
1711.991274
InChI
InChI=1S/C84H126N24O15/c1-9-107(10-2)51-31-33-55-65(45-51)123-66-46-52(108(11-3)12-4)32-34-56(66)70(55)53-25-16-17-26-54(53)72(112)99-60(35-37-67(86)109)76(116)100-59(29-21-41-95-83(90)91)75(115)104-63(43-48(5)6)78(118)105-64(44-50-23-14-13-15-24-50)79(119)101-61(36-38-68(87)110)77(117)106-71(49(7)8)80(120)102-57(27-18-19-39-85)73(113)97-47-69(111)98-58(28-20-40-94-82(88)89)74(114)103-62(81(121)122)30-22-42-96-84(92)93/h13-17,23-26,31-34,45-46,48-49,57-64,71H,9-12,18-22,27-30,35-44,47,85H2,1-8H3,(H26-,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,109,110,111,112,113,114,115,116,117,118,119,120,121,122)/t57-,58-,59-,60-,61-,62-,63-,64-,71-/m0/s1
InChIKey
OIOWMSSANHIUTR-NVWDZAHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
123
Aromatic heavy atom count
26
Fraction Csp3
0.51
Rotatable bonds
55
H-bond acceptors
19
H-bond donors
23
Molar refractivity
469.68
TPSA
643.98

LogP / Solubility

WLOGP
0.8
MLOGP
0.88
XLogP3
0.8
Consensus LogP
0.83
Log S (ESOL)
-7.49
Class (ESOL)
Insoluble
Log S (Ali)
-14.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.06
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)
-12.6

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
9.5

Customers Also Viewed

Get In Touch

Contact Us