Kobutimycin B
TL;DR: Kobutimycin B (CAS 145458-92-0) is a chemical compound with molecular formula C20H27NO5 and molecular weight 361.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1Z)-3-acetyloxy-1-(8-methyl-2-oxa-6-azatricyclo[5.3.0.01,3]deca-6,8-dien-10-ylidene)butan-2-yl] 2-methylbutanoate
Also Known As: Kobutimycin B, (+)-Kobutimycin B, TA-3341B, 5-Methyl-7-(2'-(2''-methylbutyryloxy)-3'-acetoxy)butylidene-1a,2,3,7-tetrahydrocyclopent(b)oxireno(c)pyridine, [(1Z)-3-acetyloxy-1-(8-methyl-2-oxa-6-azatricyclo[5.3.0.01,3]deca-6,8-dien-10-ylidene)butan-2-yl] 2-methylbutanoate
| Molecular Formula | C20H27NO5 |
|---|---|
| Molecular Weight | 361.19 g/mol |
| LogP | 2.7645 |
| Topological Polar Surface Area | 77.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.18893 |
| Heavy Atoms | 26 |
| Complexity | 706.9901 |
Chemical Identifiers
| CAS Number | 145458-92-0 |
|---|---|
| SMILES | CCC(C)C(=O)OC(/C=C\1/C=C(C2=NCCC3C12O3)C)C(C)OC(=O)C |
Product Overview
Kobutimycin B (CAS 145458-92-0), with molecular formula C20H27NO5 and molecular weight 361.19 g/mol. IUPAC: [(1Z)-3-acetyloxy-1-(8-methyl-2-oxa-6-azatricyclo[5.3.0.01,3]deca-6,8-dien-10-ylidene)butan-2-yl] 2-methylbutanoate.
Chemical Property Profile of Kobutimycin B
Property Insights of Kobutimycin B
The XLogP value of 2.7645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Kobutimycin B. The TPSA of 77.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Kobutimycin B. Following Lipinski's Rule of Five, Kobutimycin B has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kobutimycin B?
The CAS number of Kobutimycin B is 145458-92-0.
What is the molecular formula of Kobutimycin B?
The molecular formula of Kobutimycin B is C20H27NO5.
What is the molecular weight of Kobutimycin B?
The molecular weight of Kobutimycin B is 361.19 g/mol.
Where can I buy Kobutimycin B?
You can request a quote for Kobutimycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kobutimycin B?
Yes, KEHONG BIO provides custom synthesis services for Kobutimycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.