RefChem:1071620
TL;DR: RefChem:1071620 (CAS 143729-85-5) is a chemical compound with molecular formula C31H29N5O7S and molecular weight 615.18 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-[[(2E)-2-[(4-phenoxybenzoyl)hydrazinylidene]acetyl]amino]-2-phenylacetyl]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, 3,3-dimethyl-7-oxo-6-((((((4-phenoxybenzoyl)hydrazono)acetyl)amino)phenylacetyl)amino)-, (2S-(2-alpha,5-alpha,6-beta(S*)))-, 6alpha-[[[[[2-[4-Phenoxybenzoyl]hydrazono]acetyl]amino]phenylacetyl]amino]penicillanic acid, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[2-(2-{[(4-phenoxyphenyl)formamido]imino}acetamido)-2-phenylacetamido]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, RefChem:1071620
| Molecular Formula | C31H29N5O7S |
|---|---|
| Molecular Weight | 615.18 g/mol |
| LogP | 2.6837 |
| Topological Polar Surface Area | 166.5 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 615.1788 |
| Heavy Atoms | 44 |
| Complexity | 1598.603 |
Chemical Identifiers
| CAS Number | 143729-85-5 |
|---|---|
| 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)OC5=CC=CC=C5)C(=O)O)C |
Product Overview
RefChem:1071620 (CAS 143729-85-5), with molecular formula C31H29N5O7S and molecular weight 615.18 g/mol. IUPAC: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[2-[[(2E)-2-[(4-phenoxybenzoyl)hydrazinylidene]acetyl]amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of RefChem:1071620
Property Insights of RefChem:1071620
The XLogP value of 2.6837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1071620. The TPSA of 166.5 Ų indicates high polarity, suggesting RefChem:1071620 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1071620 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1071620?
The CAS number of RefChem:1071620 is 143729-85-5.
What is the molecular formula of RefChem:1071620?
The molecular formula of RefChem:1071620 is C31H29N5O7S.
What is the molecular weight of RefChem:1071620?
The molecular weight of RefChem:1071620 is 615.18 g/mol.
Where can I buy RefChem:1071620?
You can request a quote for RefChem:1071620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071620?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.