RefChem:536074
TL;DR: RefChem:536074 (CAS 77698-96-5) is a chemical compound with molecular formula C28H43NO10 and molecular weight 553.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid
Also Known As: ZK 71677, EINECS 278-752-6, 2-Amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid, 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, (1R-(1alpha(Z),2beta(E),3alpha,5alpha))-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1), 2-amino-2-(hydroxymethyl)propane-1,3-diol; (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid
| Molecular Formula | C28H43NO10 |
|---|---|
| Molecular Weight | 553.29 g/mol |
| LogP | 0.5846 |
| Topological Polar Surface Area | 192.16 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 553.2887 |
| Heavy Atoms | 39 |
| Complexity | 875.32513 |
Chemical Identifiers
| CAS Number | 77698-96-5 |
|---|---|
| SMILES | C1COC(O1)(COC2=CC=CC=C2)/C=C/[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)O)O)O.C(C(CO)(CO)N)O |
Product Overview
RefChem:536074 (CAS 77698-96-5), with molecular formula C28H43NO10 and molecular weight 553.29 g/mol. IUPAC: 2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid.
Chemical Property Profile of RefChem:536074
Property Insights of RefChem:536074
The XLogP value of 0.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:536074. The TPSA of 192.16 Ų indicates high polarity, suggesting RefChem:536074 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:536074 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:536074?
The CAS number of RefChem:536074 is 77698-96-5.
What is the molecular formula of RefChem:536074?
The molecular formula of RefChem:536074 is C28H43NO10.
What is the molecular weight of RefChem:536074?
The molecular weight of RefChem:536074 is 553.29 g/mol.
Where can I buy RefChem:536074?
You can request a quote for RefChem:536074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:536074?
Yes, KEHONG BIO provides custom synthesis services for RefChem:536074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.