1-Hydroxybaccatin I
TL;DR: 1-Hydroxybaccatin I (CAS 30244-37-2) is a chemical compound with molecular formula C32H44O14 and molecular weight 652.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate
Also Known As: 1-Hydroxybaccatin I, 1- Hydroxybacatin I, (2',5',9',10',13'-Pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate, B0005-178792, 1-Hydroxy-4,20-epoxytax-11-ene-2,5,7,9,10,13-hexayl hexaacetate
| Molecular Formula | C32H44O14 |
|---|---|
| Molecular Weight | 652.27 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 652.27313 |
| Heavy Atoms | 46 |
| Complexity | 1370.0 |
Chemical Identifiers
| CAS Number | 30244-37-2 |
|---|---|
| SMILES | CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
| InChIKey | LUTPIRPNUNHFEV-UHFFFAOYSA-N |
Product Overview
1-Hydroxybaccatin I (CAS 30244-37-2), with molecular formula C32H44O14 and molecular weight 652.27 g/mol. IUPAC: (2',5',9',10',13'-pentaacetyloxy-1'-hydroxy-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.03,8]pentadec-11-ene]-7'-yl) acetate.
Chemical Property Profile of 1-Hydroxybaccatin I
Property Insights of 1-Hydroxybaccatin I
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxybaccatin I. The TPSA of 191.0 Ų indicates high polarity, suggesting 1-Hydroxybaccatin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Hydroxybaccatin I has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Hydroxybaccatin I?
The CAS number of 1-Hydroxybaccatin I is 30244-37-2.
What is the molecular formula of 1-Hydroxybaccatin I?
The molecular formula of 1-Hydroxybaccatin I is C32H44O14.
What is the molecular weight of 1-Hydroxybaccatin I?
The molecular weight of 1-Hydroxybaccatin I is 652.27 g/mol.
Where can I buy 1-Hydroxybaccatin I?
You can request a quote for 1-Hydroxybaccatin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxybaccatin I?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxybaccatin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.