白叶枯霉素
TL;DR: 白叶枯霉素 (CAS 12640-81-2) is a chemical compound with molecular formula C10H13NO5 and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
白叶枯霉素
(2R)-2-[(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carbonyl]oxypropanoic acid
Also Known As: Oryzoxymycin, D-2-(6-amino-trans-5-hydroxy-1,3-cyclohexadiene-), (2R)-2-[(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carbonyl]oxypropanoic acid, 1,3-Cyclohexadiene-1-carboxylic acid, 6-amino-5-hydroxy-, 1-carboxyethyl ester, (5S-(1(S*), 5-alpha,6-beta))-, (2R)-2-((5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carbonyl)oxypropanoic acid
| Molecular Formula | C10H13NO5 |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | -0.8129 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.07938 |
| Heavy Atoms | 16 |
| Complexity | 360.2209 |
Chemical Identifiers
| CAS Number | 12640-81-2 |
|---|---|
| SMILES | C[C@H](C(=O)O)OC(=O)C1=CC=C[C@@H]([C@H]1N)O |
Product Overview
白叶枯霉素 (CAS 12640-81-2), with molecular formula C10H13NO5 and molecular weight 227.08 g/mol. IUPAC: (2R)-2-[(5S,6S)-6-amino-5-hydroxycyclohexa-1,3-diene-1-carbonyl]oxypropanoic acid.
Chemical Property Profile of 白叶枯霉素
Property Insights of 白叶枯霉素
The XLogP value of -0.8129 indicates that 白叶枯霉素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 白叶枯霉素. Following Lipinski's Rule of Five, 白叶枯霉素 has 3 hydrogen bond donor(s) and 5 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 白叶枯霉素?
The CAS number of 白叶枯霉素 is 12640-81-2.
What is the molecular formula of 白叶枯霉素?
The molecular formula of 白叶枯霉素 is C10H13NO5.
What is the molecular weight of 白叶枯霉素?
The molecular weight of 白叶枯霉素 is 227.08 g/mol.
Where can I buy 白叶枯霉素?
You can request a quote for 白叶枯霉素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 白叶枯霉素?
Yes, KEHONG BIO provides custom synthesis services for 白叶枯霉素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.