KH 1049
TL;DR: KH 1049 (CAS 132014-43-8) is a chemical compound with molecular formula C28H46O4 and molecular weight 446.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: KH 1049, (1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, (5E,7E)-(1S,3R,20R)-22-oxa-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol, 1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epivitamin D3/1alpha,25-dihydroxy-24a,24b-dihomo-22-oxa-20-epicholecalciferol
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.34 g/mol |
| LogP | 5.4737 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 715.43427 |
Chemical Identifiers
| CAS Number | 132014-43-8 |
|---|---|
| SMILES | C[C@H](C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C)OCCCCC(C)(C)O |
Product Overview
KH 1049 (CAS 132014-43-8), with molecular formula C28H46O4 and molecular weight 446.34 g/mol. IUPAC: trans-(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-1-[(1R)-1-(5-hydroxy-5-methylhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of KH 1049
Property Insights of KH 1049
The XLogP value of 5.4737 indicates that KH 1049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for KH 1049. Following Lipinski's Rule of Five, KH 1049 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KH 1049?
The CAS number of KH 1049 is 132014-43-8.
What is the molecular formula of KH 1049?
The molecular formula of KH 1049 is C28H46O4.
What is the molecular weight of KH 1049?
The molecular weight of KH 1049 is 446.34 g/mol.
Where can I buy KH 1049?
You can request a quote for KH 1049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KH 1049?
Yes, KEHONG BIO provides custom synthesis services for KH 1049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.