1-Hydroxyvitamin D3 diacetate
TL;DR: 1-Hydroxyvitamin D3 diacetate (CAS 41461-12-5) 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,3Z,5R)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetyloxy-4-methylidenecyclohexyl] acetate
Also Known As: 1-Hydroxyvitamin D3 diacetate, 1-HV D(3) Diacetate, 1alpha-Hydroxyvitamin D3 diacetate, [(1S,3Z,5R)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetyloxy-4-methylidenecyclohexyl] acetate, (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-1,3-diethanoate
| 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 | 8 |
| Exact Mass | 484.35526 |
| Heavy Atoms | 35 |
| Complexity | 850.04443 |
Chemical Identifiers
| CAS Number | 41461-12-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)C1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)OC(=O)C)OC(=O)C)C |
Product Overview
1-Hydroxyvitamin D3 diacetate (CAS 41461-12-5), with molecular formula C31H48O4 and molecular weight 484.36 g/mol. IUPAC: [(1S,3Z,5R)-3-[(2E)-2-[(3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-acetyloxy-4-methylidenecyclohexyl] acetate.
Chemical Property Profile of 1-Hydroxyvitamin D3 diacetate
Property Insights of 1-Hydroxyvitamin D3 diacetate
The XLogP value of 7.7314 indicates that 1-Hydroxyvitamin D3 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-Hydroxyvitamin D3 diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxyvitamin D3 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-Hydroxyvitamin D3 diacetate?
The CAS number of 1-Hydroxyvitamin D3 diacetate is 41461-12-5.
What is the molecular formula of 1-Hydroxyvitamin D3 diacetate?
The molecular formula of 1-Hydroxyvitamin D3 diacetate is C31H48O4.
What is the molecular weight of 1-Hydroxyvitamin D3 diacetate?
The molecular weight of 1-Hydroxyvitamin D3 diacetate is 484.36 g/mol.
Where can I buy 1-Hydroxyvitamin D3 diacetate?
You can request a quote for 1-Hydroxyvitamin D3 diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxyvitamin D3 diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxyvitamin D3 diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.