Jadomycin B
TL;DR: Jadomycin B (CAS 178979-57-2) is a chemical compound with molecular formula C30H31NO9 and molecular weight 549.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butan-2-yl-19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione
Also Known As: Jadomycin B, jadomycinB, JADOMYCIN-B, 3-Butan-2-yl-19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione, 8H-Benzo(b)oxazolo(3,2-f)phenanthridine-2,8,13(1H,3aH)-trione, 12-((2,6-dideoxyhexopyranosyl)oxy)-7-hydroxy-5-methyl-1-(1-methylpropyl)-
| Molecular Formula | C30H31NO9 |
|---|---|
| Molecular Weight | 549.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.1999 |
| Heavy Atoms | 40 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 178979-57-2 |
|---|---|
| SMILES | CCC(C)C1C(=O)OC2N1C3=C(C4=C2C=C(C=C4O)C)C(=O)C5=C(C3=O)C(=CC=C5)OC6CC(C(C(O6)C)O)O |
| InChIKey | BSBSCJRAEMDCHC-UHFFFAOYSA-N |
Product Overview
Jadomycin B (CAS 178979-57-2), with molecular formula C30H31NO9 and molecular weight 549.20 g/mol. IUPAC: 3-butan-2-yl-19-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-11-hydroxy-9-methyl-5-oxa-2-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),7(12),8,10,15(20),16,18-heptaene-4,14,21-trione.
Chemical Property Profile of Jadomycin B
Property Insights of Jadomycin B
The XLogP value of 3.9 indicates that Jadomycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting Jadomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jadomycin B has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Jadomycin B?
The CAS number of Jadomycin B is 178979-57-2.
What is the molecular formula of Jadomycin B?
The molecular formula of Jadomycin B is C30H31NO9.
What is the molecular weight of Jadomycin B?
The molecular weight of Jadomycin B is 549.20 g/mol.
Where can I buy Jadomycin B?
You can request a quote for Jadomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jadomycin B?
Yes, KEHONG BIO provides custom synthesis services for Jadomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.