1-HPV D(3) diacetate
TL;DR: 1-HPV D(3) diacetate (CAS 54712-17-3) is a chemical compound with molecular formula C31H48O4 and molecular weight 484.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-3-[(Z)-2-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate
Also Known As: 1-HPV D(3) diacetate, 1-Hydroxyprevitamin D3 diacetate, 1alpha-Hydroxyprevitamin D3 diacetate, [(1S,5R)-3-[(Z)-2-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate, 9,10-Secocholesta-5(10),6,8-triene-1,3-diol, diacetate, (1alpha,3beta,6Z)-
| Molecular Formula | C31H48O4 |
|---|---|
| Molecular Weight | 484.36 g/mol |
| LogP | 7.7314 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 863.2089 |
Chemical Identifiers
| CAS Number | 54712-17-3 |
|---|---|
| SMILES | CC1=C(C[C@@H](C[C@H]1OC(=O)C)OC(=O)C)/C=C\C2=CCC[C@]3([C@H]2CCC3[C@H](C)CCCC(C)C)C |
Product Overview
1-HPV D(3) diacetate (CAS 54712-17-3), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: [(1S,5R)-3-[(Z)-2-[(3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate.
Chemical Property Profile of 1-HPV D(3) diacetate
Property Insights of 1-HPV D(3) diacetate
The XLogP value of 7.7314 indicates that 1-HPV D(3) diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1-HPV D(3) diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-HPV D(3) diacetate has 0 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 1-HPV D(3) diacetate?
The CAS number of 1-HPV D(3) diacetate is 54712-17-3.
What is the molecular formula of 1-HPV D(3) diacetate?
The molecular formula of 1-HPV D(3) diacetate is C31H48O4.
What is the molecular weight of 1-HPV D(3) diacetate?
The molecular weight of 1-HPV D(3) diacetate is 484.36 g/mol.
Where can I buy 1-HPV D(3) diacetate?
You can request a quote for 1-HPV D(3) diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-HPV D(3) diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-HPV D(3) diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.