3-O-Butylneothramycin B
TL;DR: 3-O-Butylneothramycin B (CAS 63407-30-7) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: 3-O-Butylneothramycin B, Neothramycin B 3-methyl ether, J1.122.822D, 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3-butoxy-1,2,3,11a-tetrahydro-8-hydroxy-7-methoxy-, (3R-cis)-, (3R-cis)-3-Butoxy-1,2,3,11a-tetrahydro-8-hydroxy-7-methoxy-5H-pyrrolo(2,1-c)(1,4)benzodiazepin-5-one
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 63407-30-7 |
|---|---|
| SMILES | CCCCO[C@@H]1CC[C@@H]2N1C(=O)C3=CC(=C(C=C3N=C2)O)OC |
| InChIKey | FDSPBNWXVRMSHO-MEDUHNTESA-N |
Product Overview
3-O-Butylneothramycin B (CAS 63407-30-7), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: (6aS,9R)-9-butoxy-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of 3-O-Butylneothramycin B
Property Insights of 3-O-Butylneothramycin B
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Butylneothramycin B. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Butylneothramycin B. Following Lipinski's Rule of Five, 3-O-Butylneothramycin B has 1 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 3-O-Butylneothramycin B?
The CAS number of 3-O-Butylneothramycin B is 63407-30-7.
What is the molecular formula of 3-O-Butylneothramycin B?
The molecular formula of 3-O-Butylneothramycin B is C17H22N2O4.
What is the molecular weight of 3-O-Butylneothramycin B?
The molecular weight of 3-O-Butylneothramycin B is 318.16 g/mol.
Where can I buy 3-O-Butylneothramycin B?
You can request a quote for 3-O-Butylneothramycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Butylneothramycin B?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Butylneothramycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.