RefChem:1071629
TL;DR: RefChem:1071629 (CAS 143729-89-9) is a chemical compound with molecular formula C31H29N5O6S and molecular weight 599.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-[[(2E)-2-[(4-phenylbenzoyl)hydrazinylidene]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((((1,1'-biphenyl)-4-ylcarbonyl)hydrazono)acetyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, 6alpha-[[[[[2-[4-Phenylbenzoyl]hydrazono]acetyl]amino]phenylacetyl]amino]penicillanic acid, (2S,5R,6R)-6-(2-{2-[({[1,1'-biphenyl]-4-yl}formamido)imino]acetamido}-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, RefChem:1071629
| Molecular Formula | C31H29N5O6S |
|---|---|
| Molecular Weight | 599.18 g/mol |
| LogP | 2.5584 |
| Topological Polar Surface Area | 157.27 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 599.18384 |
| Heavy Atoms | 43 |
| Complexity | 1579.166 |
Chemical Identifiers
| CAS Number | 143729-89-9 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)/C=N/NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O)C |
Product Overview
RefChem:1071629 (CAS 143729-89-9), with molecular formula C31H29N5O6S and molecular weight 599.18 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-phenyl-2-[[(2E)-2-[(4-phenylbenzoyl)hydrazinylidene]acetyl]amino]acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of RefChem:1071629
Property Insights of RefChem:1071629
The XLogP value of 2.5584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071629. The TPSA of 157.27 Ų indicates high polarity, suggesting RefChem:1071629 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071629 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1071629?
The CAS number of RefChem:1071629 is 143729-89-9.
What is the molecular formula of RefChem:1071629?
The molecular formula of RefChem:1071629 is C31H29N5O6S.
What is the molecular weight of RefChem:1071629?
The molecular weight of RefChem:1071629 is 599.18 g/mol.
Where can I buy RefChem:1071629?
You can request a quote for RefChem:1071629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.