4-Hydroxybaumycinol A1
TL;DR: 4-Hydroxybaumycinol A1 (CAS 78962-31-9) is a chemical compound with molecular formula C33H43NO13 and molecular weight 661.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: Rubeomycin B, 4-Hydroxybaumycinol A1, Rubeomycin B1, 4-Hydroxybaumycinol A2, Antibiotic FA 1180B
| Molecular Formula | C33H43NO13 |
|---|---|
| Molecular Weight | 661.27 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 661.27344 |
| Heavy Atoms | 47 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 78962-31-9 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(C)O)O)N)OC(CC(C)O)OC(C)CO |
| InChIKey | QSLSPJFMOXHLJX-UHFFFAOYSA-N |
Product Overview
4-Hydroxybaumycinol A1 (CAS 78962-31-9), with molecular formula C33H43NO13 and molecular weight 661.27 g/mol. IUPAC: 7-[4-amino-5-[3-hydroxy-1-(1-hydroxypropan-2-yloxy)butoxy]-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-9-(1-hydroxyethyl)-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 4-Hydroxybaumycinol A1
Property Insights of 4-Hydroxybaumycinol A1
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybaumycinol A1. The TPSA of 239.0 Ų indicates high polarity, suggesting 4-Hydroxybaumycinol A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxybaumycinol A1 has 8 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 4-Hydroxybaumycinol A1?
The CAS number of 4-Hydroxybaumycinol A1 is 78962-31-9.
What is the molecular formula of 4-Hydroxybaumycinol A1?
The molecular formula of 4-Hydroxybaumycinol A1 is C33H43NO13.
What is the molecular weight of 4-Hydroxybaumycinol A1?
The molecular weight of 4-Hydroxybaumycinol A1 is 661.27 g/mol.
Where can I buy 4-Hydroxybaumycinol A1?
You can request a quote for 4-Hydroxybaumycinol A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybaumycinol A1?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybaumycinol A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.