Aflatoxin B1exo-8,9-epoxide-GSH
TL;DR: Aflatoxin B1exo-8,9-epoxide-GSH (CAS 68385-50-2) is a chemical compound with molecular formula C27H29N3O13S and molecular weight 635.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-[[1-(carboxymethylamino)-3-[[(4R,5S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Afb1-gsh conjugate, Aflatoxin B1exo-8,9-epoxide-GSH, 8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1, 5-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvaline, 5-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[(8S,9R)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvaline
| Molecular Formula | C27H29N3O13S |
|---|---|
| Molecular Weight | 635.14 g/mol |
| LogP | -0.9393 |
| Topological Polar Surface Area | 254.02 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 635.1421 |
| Heavy Atoms | 44 |
| Complexity | 1607.7341 |
Chemical Identifiers
| CAS Number | 68385-50-2 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5[C@H]([C@@H](OC5OC4=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O |
Product Overview
Aflatoxin B1exo-8,9-epoxide-GSH (CAS 68385-50-2), with molecular formula C27H29N3O13S and molecular weight 635.14 g/mol. IUPAC: 2-amino-5-[[1-(carboxymethylamino)-3-[[(4R,5S)-4-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Aflatoxin B1exo-8,9-epoxide-GSH
Property Insights of Aflatoxin B1exo-8,9-epoxide-GSH
The XLogP value of -0.9393 indicates that Aflatoxin B1exo-8,9-epoxide-GSH is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.02 Ų indicates high polarity, suggesting Aflatoxin B1exo-8,9-epoxide-GSH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aflatoxin B1exo-8,9-epoxide-GSH has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aflatoxin B1exo-8,9-epoxide-GSH?
The CAS number of Aflatoxin B1exo-8,9-epoxide-GSH is 68385-50-2.
What is the molecular formula of Aflatoxin B1exo-8,9-epoxide-GSH?
The molecular formula of Aflatoxin B1exo-8,9-epoxide-GSH is C27H29N3O13S.
What is the molecular weight of Aflatoxin B1exo-8,9-epoxide-GSH?
The molecular weight of Aflatoxin B1exo-8,9-epoxide-GSH is 635.14 g/mol.
Where can I buy Aflatoxin B1exo-8,9-epoxide-GSH?
You can request a quote for Aflatoxin B1exo-8,9-epoxide-GSH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin B1exo-8,9-epoxide-GSH?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin B1exo-8,9-epoxide-GSH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.